(2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid

C14H18O7 — CID 68806241

IUPAC(2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid
SMILESCO[C@H]1C(O)O[C@@H](C(=O)O)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H18O7/c1-19-12-10(20-7-8-5-3-2-4-6-8)9(15)11(13(16)17)21-14(12)18/h2-6,9-12,14-15,18H,7H2,1H3,(H,16,17)/t9-,10-,11+,12+,14?/m0/s1
InChIKeyBUYIFCRTAGCGKY-PFMSDRGJSA-N
MW298.29 g/mol
LogP-0.25
Rot. Bonds5

About (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid

(2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid (PubChem CID 68806241) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid
PubChem CID68806241
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name(2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid
SMILESCO[C@H]1C(O)O[C@@H](C(=O)O)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H18O7/c1-19-12-10(20-7-8-5-3-2-4-6-8)9(15)11(13(16)17)21-14(12)18/h2-6,9-12,14-15,18H,7H2,1H3,(H,16,17)/t9-,10-,11+,12+,14?/m0/s1
InChIKeyBUYIFCRTAGCGKY-PFMSDRGJSA-N
XLogP-0.25
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5R,6R)-5-acetyloxy-3-hydroxy-6-methoxy-4-phenylmethoxyoxane-2-carboxylic acid
CID 10042847
methyl (2R,3S,4R,5R,6S)-3-acetyloxy-5,6-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
CID 140665819
5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid
CID 162992516
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
benzyl (2S,3S,4S,5S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
CID 124523716
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074
methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
CID 163625128
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid?
The IUPAC name of (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid (CID 68806241) is (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid is CO[C@H]1C(O)O[C@@H](C(=O)O)[C@@H](O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid?
The InChIKey is BUYIFCRTAGCGKY-PFMSDRGJSA-N. The full InChI is InChI=1S/C14H18O7/c1-19-12-10(20-7-8-5-3-2-4-6-8)9(15)11(13(16)17)21-14(12)18/h2-6,9-12,14-15,18H,7H2,1H3,(H,16,17)/t9-,10-,11+,12+,14?/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid?
(2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid has a molecular weight of 298.29 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid is sourced from PubChem (CID 68806241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).