(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol

C13H18O6 — CID 90672360

IUPAC(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
SMILESOC1O[C@@H](COCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H18O6/c14-10-9(19-13(17)12(16)11(10)15)7-18-6-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11+,12-,13?/m0/s1
InChIKeyUHHWQCVQKLCBMI-VNXCBOPGSA-N
MW270.28 g/mol
LogP-1.00
Rot. Bonds4

About (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol

(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 90672360) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
PubChem CID90672360
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
SMILESOC1O[C@@H](COCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H18O6/c14-10-9(19-13(17)12(16)11(10)15)7-18-6-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11+,12-,13?/m0/s1
InChIKeyUHHWQCVQKLCBMI-VNXCBOPGSA-N
XLogP-1.00
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
(3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol
CID 102126208
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 22979812
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(3R,4R,5S,6R)-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 90939557
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol
CID 67823537
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol (CID 90672360) is (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol is OC1O[C@@H](COCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is UHHWQCVQKLCBMI-VNXCBOPGSA-N. The full InChI is InChI=1S/C13H18O6/c14-10-9(19-13(17)12(16)11(10)15)7-18-6-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11+,12-,13?/m0/s1.
What are the key properties of (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol?
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 270.28 g/mol, XLogP of -1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 90672360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).