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6138-23-4 molecular structure
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(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol dihydrate

ChemBase ID: 102800
Molecular Formular: C12H26O13
Molecular Mass: 378.32704
Monoisotopic Mass: 378.13734089
SMILES and InChIs

SMILES:
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O.O.O
Canonical SMILES:
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O.O.O
InChI:
InChI=1S/C12H22O11.2H2O/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12;;/h3-20H,1-2H2;2*1H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-;;/m1../s1
InChIKey:
DPVHGFAJLZWDOC-PVXXTIHASA-N

Cite this record

CBID:102800 http://www.chembase.cn/molecule-102800.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol dihydrate
IUPAC Traditional name
α,α'-trehalose dihydrate
Synonyms
α,α-Trehalose
α-D-Glucopyranosyl-α-D-glucopyranoside
α,α-Trehalose
1-O-α-D-Gluco-pyranosyl-α-D-glucopyranoside
D-(+)-TREHALOSE DIHYDRATE
D-(+)-Trehalose dihydrate
Mycose,1-O-α-D-glucopyranosyl-α-D-glucopyranoside
α,α-海藻糖
α-D-吡喃葡萄糖基-α-D-吡喃葡萄糖苷
D-(+)-海藻糖 二水合物
CAS Number
6138-23-4
EC Number
202-739-6
MDL Number
MFCD00071594
Beilstein Number
5322018
PubChem SID
24900264
24889331
24900159
24889330
24899871
162090085
24900594
24900427
PubChem CID
181978

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.905896  H Acceptors 11 
H Donor LogD (pH = 5.5) -4.703375 
LogD (pH = 7.4) -4.703388  Log P -4.703375 
Molar Refractivity 68.3367 cm3 Polarizability 28.969793 Å3
Polar Surface Area 189.53 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 g/mL, clear, colorless expand Show data source
H2O: soluble50 mg/mL expand Show data source
H2O: soluble50 mg/mL, clear, colorless expand Show data source
Apperance
powder expand Show data source
Melting Point
203°C expand Show data source
Optical Rotation
[α]20/D +179±3°, c = 2% in H2O expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98% expand Show data source
≥99% expand Show data source
≥98.5% (HPLC) expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (HPLC) expand Show data source
≥99.5% (HPLC) expand Show data source
95+% expand Show data source
Grade
for microbiology expand Show data source
SAJ special grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
plant cell culture tested expand Show data source
suitable for cell culture expand Show data source
suitable for insect cell culture expand Show data source
Ignition Residue
≤0.1% (as SO4) expand Show data source
Cation Traces
Al: ≤2 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤2 mg/kg expand Show data source
Ca: ≤200 mg/kg expand Show data source
Ca: ≤3 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤1 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤10 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤1 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤1 mg/kg expand Show data source
Zn: ≤10 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Biological Source
from corn starch expand Show data source
from Saccharomyces cerevisiae expand Show data source
Loss on Drying
≤10% loss on drying expand Show data source
Quality Level
PREMIUM expand Show data source
Empirical Formula (Hill Notation)
C12H22O11 · 2H2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02194756 external link
Cell Culture Reagent
Dihydrate
Purity: 99+%
Crystalline
MP Biomedicals - 02103097 external link
Purity: >98%
Crystalline
Dihydrate
Sigma Aldrich - T3663 external link
Application
Trehalose is used in cryobiology to improve the viability and recovery of plant cells exposed to dehydration and freezing/thawing.
Sigma Aldrich - T9531 external link
包装
10 mg in autosmp vl
2.5, 25 kg in poly drum
5, 10, 25, 100, 500 g in poly bottle
Preparation Note
通过离子交换色谱制备。
Quality
金属离子含量低。
Sigma Aldrich - T5251 external link
Preparation Note
Prepared by the modified procedure of Payen, R., Can. J. Res., 27B, 749 (1949).
Sigma Aldrich - T0167 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Use as a cryoprotectant in a variety of cell freezing media.
Sigma Aldrich - 90208 external link
Preparation Note
The metal ion content is reduced by ion exchange chromatography.

REFERENCES

REFERENCES

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PATENTS

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