(2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol

C12H24O11 — CID 141110892

IUPAC(2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol
SMILES[2H][C@]1(O)[C@H](O)[C@@H](O)[C@@H](C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@@H]1CO
InChIInChI=1S/C12H24O11/c13-1-3(15)5(16)7(18)9(20)11(22)12-10(21)8(19)6(17)4(2-14)23-12/h3-22H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1/i6D
InChIKeyYXCQQSJTEBUHOD-VXAJKGOSSA-N
MW345.32 g/mol
LogP-6.37
Rot. Bonds7

About (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol

(2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol (PubChem CID 141110892) has the molecular formula C12H24O11 and a molecular weight of 345.32 g/mol. Its IUPAC name is (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol
PubChem CID141110892
Molecular FormulaC12H24O11
Molecular Weight345.32 g/mol
Exact Mass345.14
IUPAC Name(2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol
SMILES[2H][C@]1(O)[C@H](O)[C@@H](O)[C@@H](C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@@H]1CO
InChIInChI=1S/C12H24O11/c13-1-3(15)5(16)7(18)9(20)11(22)12-10(21)8(19)6(17)4(2-14)23-12/h3-22H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1/i6D
InChIKeyYXCQQSJTEBUHOD-VXAJKGOSSA-N
XLogP-6.37
TPSA211.53 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500345.32
LogP ≤ 5-6.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Analyze (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol with MolForge

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Launch Full Analysis

Related Compounds

hexane-1,2,3,4,5,6-hexol;1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol
CID 174522135
(3R,4S,5S,6R)-6-[(1R,2R,3R)-1,2,3,4-tetrahydroxybutyl]oxane-2,3,4,5-tetrol
CID 91197418
(1S,2S,3S,4R)-1-[(2R,3S,4S,5S)-6-chloro-3,4,5-trihydroxyoxan-2-yl]pentane-1,2,3,4,5-pentol
CID 70420715
(4R,5R)-4-deuterio-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 158521048
(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67823819
(2R)-5-(1,2,3-trihydroxypropyl)oxolane-2,3,4-triol
CID 22887183
(3R,4S,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67824107
bis(cyclohexane-1,2,3,4,5,6-hexol);hexane-1,2,3,4,5,6-hexol
CID 159403758
(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
CID 70476129
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 172768726
(2S,3R,4S,5S)-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
CID 158355738

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol (CID 141110892) is (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol is [2H][C@]1(O)[C@H](O)[C@@H](O)[C@@H](C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@@H]1CO.
What is the InChIKey of (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol?
The InChIKey is YXCQQSJTEBUHOD-VXAJKGOSSA-N. The full InChI is InChI=1S/C12H24O11/c13-1-3(15)5(16)7(18)9(20)11(22)12-10(21)8(19)6(17)4(2-14)23-12/h3-22H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1/i6D.
What are the key properties of (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol?
(2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol has a molecular weight of 345.32 g/mol, XLogP of -6.37, 7 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-1-[(2R,3R,4S,5S,6R)-5-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 141110892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).