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

C13H18O6 — CID 57206104

IUPAC(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C13H18O6/c14-7-9-13(18,6-8-4-2-1-3-5-8)11(16)10(15)12(17)19-9/h1-5,9-12,14-18H,6-7H2/t9-,10-,11-,12+,13-/m1/s1
InChIKeyMTSHEKNGTMXXDA-NJMOYASZSA-N
MW270.28 g/mol
LogP-1.61
Rot. Bonds3

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

(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 57206104) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID57206104
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C13H18O6/c14-7-9-13(18,6-8-4-2-1-3-5-8)11(16)10(15)12(17)19-9/h1-5,9-12,14-18H,6-7H2/t9-,10-,11-,12+,13-/m1/s1
InChIKeyMTSHEKNGTMXXDA-NJMOYASZSA-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

(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91215781
(2R,3S,4R,5S,6S)-3-benzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 70189046
(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
bis((2R,3S,5R,6S)-1-benzylcyclohexane-1,2,3,4,5,6-hexol);dihydrate
CID 139077583
(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 57254767
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 174840135
(3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175530729
(2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 67771303
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-phenyloxane-2,3,4,5-tetrol
CID 57135995
(1R,2R,3R,4R,5R)-2-benzyl-3-chloro-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 57024548

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 57206104) is (2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@]1(O)Cc1ccccc1.
What is the InChIKey of (2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is MTSHEKNGTMXXDA-NJMOYASZSA-N. The full InChI is InChI=1S/C13H18O6/c14-7-9-13(18,6-8-4-2-1-3-5-8)11(16)10(15)12(17)19-9/h1-5,9-12,14-18H,6-7H2/t9-,10-,11-,12+,13-/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2S,3R,4R,5S,6R)-5-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 (2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 57206104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).