phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone

C20H22O8 — CID 151034583

IUPACphenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone
SMILESO=C(c1ccccc1)C1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@]1(O)OCc1ccccc1
InChIInChI=1S/C20H22O8/c21-11-15-16(22)18(24)19(25,27-12-13-7-3-1-4-8-13)20(26,28-15)17(23)14-9-5-2-6-10-14/h1-10,15-16,18,21-22,24-26H,11-12H2/t15-,16-,18+,19+,20?/m1/s1
InChIKeyMAUKSMAZMKSOTJ-GKPURMBKSA-N
MW390.39 g/mol
LogP-0.42
Rot. Bonds6

About phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone

phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone (PubChem CID 151034583) has the molecular formula C20H22O8 and a molecular weight of 390.39 g/mol. Its IUPAC name is phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone
PubChem CID151034583
Molecular FormulaC20H22O8
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Namephenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone
SMILESO=C(c1ccccc1)C1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@]1(O)OCc1ccccc1
InChIInChI=1S/C20H22O8/c21-11-15-16(22)18(24)19(25,27-12-13-7-3-1-4-8-13)20(26,28-15)17(23)14-9-5-2-6-10-14/h1-10,15-16,18,21-22,24-26H,11-12H2/t15-,16-,18+,19+,20?/m1/s1
InChIKeyMAUKSMAZMKSOTJ-GKPURMBKSA-N
XLogP-0.42
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,3R,4S,5S,6R)-3-benzyl-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carbonyl]cyclohexane-1,3,5-trione
CID 141056943
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
[(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone
CID 141214433
benzyl N-[4-[(2R,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]butyl]carbamate
CID 66764279
benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate
CID 138620334
[(2R,3R,4S,5S)-4,5-dibenzoyl-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-3-yl]-phenylmethanone
CID 164897096
(2R,3R,4S,5R)-4,5,6-tribenzyl-6-fluoro-2-(hydroxymethyl)-5-phenylmethoxyoxane-3,4-diol
CID 18667412
(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol
CID 70798995
2-[methyl-[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3-phenylpropanoic acid
CID 170271296
phenyl-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-[hydroxy-[(2S,3S,4S,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxan-3-yl]methanone
CID 57192938
N'-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2-sulfanylbenzohydrazide
CID 71478256
(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 22395583

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone?
The IUPAC name of phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone (CID 151034583) is phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone.
What is the SMILES notation for phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone?
The canonical SMILES for phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone is O=C(c1ccccc1)C1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@]1(O)OCc1ccccc1.
What is the InChIKey of phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone?
The InChIKey is MAUKSMAZMKSOTJ-GKPURMBKSA-N. The full InChI is InChI=1S/C20H22O8/c21-11-15-16(22)18(24)19(25,27-12-13-7-3-1-4-8-13)20(26,28-15)17(23)14-9-5-2-6-10-14/h1-10,15-16,18,21-22,24-26H,11-12H2/t15-,16-,18+,19+,20?/m1/s1.
What are the key properties of phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone?
phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone has a molecular weight of 390.39 g/mol, XLogP of -0.42, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone is sourced from PubChem (CID 151034583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).