(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol

C14H20O5 — CID 129223206

IUPAC(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
SMILESC[C@@H]1C(OCc2ccccc2)OC(CO)C(O)[C@@H]1O
InChIInChI=1S/C14H20O5/c1-9-12(16)13(17)11(7-15)19-14(9)18-8-10-5-3-2-4-6-10/h2-6,9,11-17H,7-8H2,1H3/t9-,11?,12+,13?,14?/m0/s1
InChIKeyCGOUNLDCQUIJOA-KDMVMBFYSA-N
MW268.31 g/mol
LogP0.28
Rot. Bonds4

About (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol

(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol (PubChem CID 129223206) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol.

Molecular Properties

Compound Name(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
PubChem CID129223206
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
SMILESC[C@@H]1C(OCc2ccccc2)OC(CO)C(O)[C@@H]1O
InChIInChI=1S/C14H20O5/c1-9-12(16)13(17)11(7-15)19-14(9)18-8-10-5-3-2-4-6-10/h2-6,9,11-17H,7-8H2,1H3/t9-,11?,12+,13?,14?/m0/s1
InChIKeyCGOUNLDCQUIJOA-KDMVMBFYSA-N
XLogP0.28
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(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
(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol
CID 131700365
(2S,3S,4S,5R,6S)-4-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,5-diol
CID 93088189
(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,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl] acetate
CID 67926222
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
N-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11888392
N-[(4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 172641817
N-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11870400
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 6540868

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol?
The IUPAC name of (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol (CID 129223206) is (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol.
What is the SMILES notation for (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol?
The canonical SMILES for (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol is C[C@@H]1C(OCc2ccccc2)OC(CO)C(O)[C@@H]1O.
What is the InChIKey of (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol?
The InChIKey is CGOUNLDCQUIJOA-KDMVMBFYSA-N. The full InChI is InChI=1S/C14H20O5/c1-9-12(16)13(17)11(7-15)19-14(9)18-8-10-5-3-2-4-6-10/h2-6,9,11-17H,7-8H2,1H3/t9-,11?,12+,13?,14?/m0/s1.
What are the key properties of (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol?
(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol has a molecular weight of 268.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol is sourced from PubChem (CID 129223206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).