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10030-85-0 molecular structure
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(3R,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol

ChemBase ID: 89343
Molecular Formular: C6H12O5
Molecular Mass: 164.15648
Monoisotopic Mass: 164.06847348
SMILES and InChIs

SMILES:
O[C@@H]1[C@@H](OC([C@@H]([C@@H]1O)O)O)C
Canonical SMILES:
O[C@@H]1[C@H](C)OC([C@@H]([C@@H]1O)O)O
InChI:
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5+,6?/m0/s1
InChIKey:
SHZGCJCMOBCMKK-CGDLOXFJSA-N

Cite this record

CBID:89343 http://www.chembase.cn/molecule-89343.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
IUPAC Traditional name
(3R,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
Synonyms
L-Rhamnose
CAS Number
10030-85-0
MDL Number
MFCD00078071
PubChem SID
162076223
PubChem CID
12302973

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR4844 external link Add to cart Please log in.
Data Source Data ID
PubChem 12302973 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.30218  H Acceptors
H Donor LogD (pH = 5.5) -1.8856299 
LogD (pH = 7.4) -1.8856835  Log P -1.8856293 
Molar Refractivity 34.3797 cm3 Polarizability 14.43744 Å3
Polar Surface Area 90.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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