(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol

C11H24O11 — CID 154641569

IUPAC(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol
SMILESOC1OC[C@@H](O)[C@H](O)[C@H]1O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.C5H10O5/c7-1-3(9)5(11)6(12)4(10)2-8;6-2-1-10-5(9)4(8)3(2)7/h3-12H,1-2H2;2-9H,1H2/t3-,4-,5-,6-;2-,3+,4-,5?/m11/s1
InChIKeyMTKJZDWIPAMUAB-OSYOBXJRSA-N
MW332.30 g/mol
LogP-6.17
Rot. Bonds5

About (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol

(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol (PubChem CID 154641569) has the molecular formula C11H24O11 and a molecular weight of 332.30 g/mol. Its IUPAC name is (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol
PubChem CID154641569
Molecular FormulaC11H24O11
Molecular Weight332.30 g/mol
Exact Mass332.13
IUPAC Name(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol
SMILESOC1OC[C@@H](O)[C@H](O)[C@H]1O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.C5H10O5/c7-1-3(9)5(11)6(12)4(10)2-8;6-2-1-10-5(9)4(8)3(2)7/h3-12H,1-2H2;2-9H,1H2/t3-,4-,5-,6-;2-,3+,4-,5?/m11/s1
InChIKeyMTKJZDWIPAMUAB-OSYOBXJRSA-N
XLogP-6.17
TPSA211.53 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500332.30
LogP ≤ 5-6.17
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
(2R,3R,4R,5R)-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]heptane-1,2,3,4,5-pentol
CID 71096886
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
bis(cyclohexane-1,2,3,4,5,6-hexol);hexane-1,2,3,4,5,6-hexol
CID 159403758
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(3R,4S,5R)-oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 173114490
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(3R,4S,5R)-oxane-2,3,4,5-tetrol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 173370598
hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane
CID 174373260
(3S)-2-[(1R)-1,2-dihydroxyethyl]oxane-3,4,5-triol
CID 67951819
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol (CID 154641569) is (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol is OC1OC[C@@H](O)[C@H](O)[C@H]1O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol?
The InChIKey is MTKJZDWIPAMUAB-OSYOBXJRSA-N. The full InChI is InChI=1S/C6H14O6.C5H10O5/c7-1-3(9)5(11)6(12)4(10)2-8;6-2-1-10-5(9)4(8)3(2)7/h3-12H,1-2H2;2-9H,1H2/t3-,4-,5-,6-;2-,3+,4-,5?/m11/s1.
What are the key properties of (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol?
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol has a molecular weight of 332.30 g/mol, XLogP of -6.17, 5 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol is sourced from PubChem (CID 154641569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).