(3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol

C14H20O7 — CID 10804143

IUPAC(3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
SMILESOCC1(CO)O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H20O7/c15-7-14(8-16)12(19)10(17)11(18)13(21-14)20-6-9-4-2-1-3-5-9/h1-5,10-13,15-19H,6-8H2/t10-,11-,12-,13-/m1/s1
InChIKeyJHSSIFUEQSGADC-FDYHWXHSSA-N
MW300.31 g/mol
LogP-1.63
Rot. Bonds5

About (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol

(3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol (PubChem CID 10804143) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
PubChem CID10804143
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name(3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
SMILESOCC1(CO)O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H20O7/c15-7-14(8-16)12(19)10(17)11(18)13(21-14)20-6-9-4-2-1-3-5-9/h1-5,10-13,15-19H,6-8H2/t10-,11-,12-,13-/m1/s1
InChIKeyJHSSIFUEQSGADC-FDYHWXHSSA-N
XLogP-1.63
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 ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol
CID 56839704
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol
CID 155013546
(2S,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 10800923
(2S,3S,4R,5R)-5-bromo-2-phenylmethoxyoxane-3,4-diol
CID 125469481
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 10379133

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
The IUPAC name of (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol (CID 10804143) is (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol is OCC1(CO)O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
The InChIKey is JHSSIFUEQSGADC-FDYHWXHSSA-N. The full InChI is InChI=1S/C14H20O7/c15-7-14(8-16)12(19)10(17)11(18)13(21-14)20-6-9-4-2-1-3-5-9/h1-5,10-13,15-19H,6-8H2/t10-,11-,12-,13-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
(3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol has a molecular weight of 300.31 g/mol, XLogP of -1.63, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol is sourced from PubChem (CID 10804143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).