(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol

C14H20O7 — CID 163075806

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OC[C@H](O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H20O7/c15-6-10-11(17)12(18)13(19)14(21-10)20-7-9(16)8-4-2-1-3-5-8/h1-5,9-19H,6-7H2/t9-,10+,11+,12-,13+,14+/m0/s1
InChIKeyDDKQCNQJANTYLB-GMDXDWKASA-N
MW300.31 g/mol
LogP-1.46
Rot. Bonds5

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol (PubChem CID 163075806) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol
PubChem CID163075806
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OC[C@H](O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H20O7/c15-6-10-11(17)12(18)13(19)14(21-10)20-7-9(16)8-4-2-1-3-5-8/h1-5,9-19H,6-7H2/t9-,10+,11+,12-,13+,14+/m0/s1
InChIKeyDDKQCNQJANTYLB-GMDXDWKASA-N
XLogP-1.46
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol 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

Salidroside
CID 159278
Amygdalin
CID 656516
Prunasin
CID 119033
Icariside F2
CID 14079045
Tribenoside
CID 196122
Sambunigrin
CID 91434
Prulaurasin
CID 120639
2-Phenyl-2-(3,4,5-Trihydroxy-6-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxymethyl)Oxan-2-Yl)Oxyacetonitrile
CID 2180
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
Phenylethyl beta-D-glucopyranoside
CID 11289099
Phenylethyl primeveroside
CID 14704521
2-phenylethyl beta-D-glucopyranoside
CID 468284

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol (CID 163075806) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol is OC[C@H]1O[C@@H](OC[C@H](O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol?
The InChIKey is DDKQCNQJANTYLB-GMDXDWKASA-N. The full InChI is InChI=1S/C14H20O7/c15-6-10-11(17)12(18)13(19)14(21-10)20-7-9(16)8-4-2-1-3-5-8/h1-5,9-19H,6-7H2/t9-,10+,11+,12-,13+,14+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol has a molecular weight of 300.31 g/mol, XLogP of -1.46, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 163075806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).