Basic information
- CAS
72698-47-6- Standard SMILES
CO[C@@H]1O[C@@H]2CO[C@@](C)(C(=O)O)O[C@@H]2[C@H](O)[C@H]1O- InChIKey
ZDZVLEQWFATHTF-IJWOWSJNSA-N- Molecular formula
- C10H16O8
- Average molar mass
- 264.23 g/mol
- Monoisotopic mass
- 264.08451746
Names & identifiers
- Preferred name
- Methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside
- IUPAC
- (2R,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
Names & synonyms
METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE(2R,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acidMethyl 4,6-O-((1R)-1-carboxyethylidene)-beta-D-galactopyranoside(2R,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-2-methyl-hexahydro-2H-pyrano(3,2-d)(1,3)dioxine-2-carboxylic acidRefChem:815707SCHEMBL4308328DTXSID101172833DB0165172698-47-6PD008887NS00070162Q27092833
Show more names
I(2)-D-Galactopyranoside, methyl 4,6-O-(1-carboxyethylidene)-, (R)-
Database identifiers
- CAS
72698-47-6- PubChem CID
- 445936
- DTXSID
DTXSID101172833- Nikkaji
- J672.475B
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
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Compound notes
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