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24876-86-6 molecular structure
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N-[2,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]acetamide

ChemBase ID: 132203
Molecular Formular: C14H25NO10
Molecular Mass: 367.349
Monoisotopic Mass: 367.14784601
SMILES and InChIs

SMILES:
CC1C(C(C(C(O1)OC1C(C(OC(C1O)CO)O)NC(=O)C)O)O)O
Canonical SMILES:
OCC1OC(O)C(C(C1O)OC1OC(C)C(C(C1O)O)O)NC(=O)C
InChI:
InChI=1S/C14H25NO10/c1-4-8(18)10(20)11(21)14(23-4)25-12-7(15-5(2)17)13(22)24-6(3-16)9(12)19/h4,6-14,16,18-22H,3H2,1-2H3,(H,15,17)
InChIKey:
TUXVLTYUDHJDAL-UHFFFAOYSA-N

Cite this record

CBID:132203 http://www.chembase.cn/molecule-132203.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]acetamide
IUPAC Traditional name
N-[2,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]acetamide
Synonyms
α-L-Fuc-(1→3)-D-GlcNAc
2-Acetamido-2-deoxy-3-O-α-L-fucopyranosyl-D-glucopyranose
3α-Fucosyl-N-acetylglucosamine
CAS Number
24876-86-6
MDL Number
MFCD00153896
PubChem SID
24890938
162226480
PubChem CID
4218710

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A5065 external link Add to cart Please log in.
Data Source Data ID
PubChem 4218710 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.509981  H Acceptors 10 
H Donor LogD (pH = 5.5) -3.9445007 
LogD (pH = 7.4) -3.944533  Log P -3.9445002 
Molar Refractivity 77.8943 cm3 Polarizability 32.49977 Å3
Polar Surface Area 178.17 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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