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

C13H18O6 — CID 163366047

IUPAC(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)[C@H](O)[C@](O)(Cc2ccccc2)[C@H]1O
InChIInChI=1S/C13H18O6/c14-7-9-10(15)13(18,11(16)12(17)19-9)6-8-4-2-1-3-5-8/h1-5,9-12,14-18H,6-7H2/t9-,10+,11+,12?,13+/m1/s1
InChIKeyOQKUHJQOWBLSDP-GRZVIAIVSA-N
MW270.28 g/mol
LogP-1.61
Rot. Bonds3

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

(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 163366047) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is (3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID163366047
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)[C@H](O)[C@](O)(Cc2ccccc2)[C@H]1O
InChIInChI=1S/C13H18O6/c14-7-9-10(15)13(18,11(16)12(17)19-9)6-8-4-2-1-3-5-8/h1-5,9-12,14-18H,6-7H2/t9-,10+,11+,12?,13+/m1/s1
InChIKeyOQKUHJQOWBLSDP-GRZVIAIVSA-N
XLogP-1.61
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 174840135
(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57206104
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol
CID 125489858
bis((2R,3S,5R,6S)-1-benzylcyclohexane-1,2,3,4,5,6-hexol);dihydrate
CID 139077583
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91215781
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(2S,3S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,4,5-pentol
CID 134812037
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol
CID 174151377

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 163366047) is (3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1OC(O)[C@H](O)[C@](O)(Cc2ccccc2)[C@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is OQKUHJQOWBLSDP-GRZVIAIVSA-N. The full InChI is InChI=1S/C13H18O6/c14-7-9-10(15)13(18,11(16)12(17)19-9)6-8-4-2-1-3-5-8/h1-5,9-12,14-18H,6-7H2/t9-,10+,11+,12?,13+/m1/s1.
What are the key properties of (3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 270.28 g/mol, XLogP of -1.61, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 163366047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).