(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol

C12H16O5 — CID 54063014

IUPAC(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
SMILESOC[C@@H]1OC(OCc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H16O5/c13-6-9-10(14)11(15)12(17-9)16-7-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12?/m0/s1
InChIKeyMBBBSHXQRFAIPA-PSIUFMSWSA-N
MW240.25 g/mol
LogP-0.36
Rot. Bonds4

About (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol

(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol (PubChem CID 54063014) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
PubChem CID54063014
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
SMILESOC[C@@H]1OC(OCc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H16O5/c13-6-9-10(14)11(15)12(17-9)16-7-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12?/m0/s1
InChIKeyMBBBSHXQRFAIPA-PSIUFMSWSA-N
XLogP-0.36
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(hydroxymethyl)-6-[[3-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]methoxy]oxane-3,4,5-triol
CID 102068966
(2S,3S,4S,5R,6S)-4-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,5-diol
CID 93088189
(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
CID 129223206
(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol
CID 131700365
(2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol
CID 56839704
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methoxy]oxane-3,4,5-triol
CID 102329612
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 74378451
(2R,3S,4S,5S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 162899851
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxy-4-prop-2-enoxyoxane-3,5-diol
CID 11449737

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol (CID 54063014) is (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol is OC[C@@H]1OC(OCc2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol?
The InChIKey is MBBBSHXQRFAIPA-PSIUFMSWSA-N. The full InChI is InChI=1S/C12H16O5/c13-6-9-10(14)11(15)12(17-9)16-7-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12?/m0/s1.
What are the key properties of (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol?
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol has a molecular weight of 240.25 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol is sourced from PubChem (CID 54063014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).