(2S,3S,4R)-hexane-2,3,4-triol

C6H14O3 — CID 91758700

IUPAC(2S,3S,4R)-hexane-2,3,4-triol
SMILESCC[C@@H](O)[C@@H](O)[C@H](C)O
InChIInChI=1S/C6H14O3/c1-3-5(8)6(9)4(2)7/h4-9H,3H2,1-2H3/t4-,5+,6-/m0/s1
InChIKeyQPNQLFAXFXPMSV-JKUQZMGJSA-N
MW134.17 g/mol
LogP-0.50
Rot. Bonds3

About (2S,3S,4R)-hexane-2,3,4-triol

(2S,3S,4R)-hexane-2,3,4-triol (PubChem CID 91758700) has the molecular formula C6H14O3 and a molecular weight of 134.17 g/mol. Its IUPAC name is (2S,3S,4R)-hexane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4R)-hexane-2,3,4-triol
PubChem CID91758700
Molecular FormulaC6H14O3
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name(2S,3S,4R)-hexane-2,3,4-triol
SMILESCC[C@@H](O)[C@@H](O)[C@H](C)O
InChIInChI=1S/C6H14O3/c1-3-5(8)6(9)4(2)7/h4-9H,3H2,1-2H3/t4-,5+,6-/m0/s1
InChIKeyQPNQLFAXFXPMSV-JKUQZMGJSA-N
XLogP-0.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-hexane-2,3,4-triol?
The IUPAC name of (2S,3S,4R)-hexane-2,3,4-triol (CID 91758700) is (2S,3S,4R)-hexane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4R)-hexane-2,3,4-triol?
The canonical SMILES for (2S,3S,4R)-hexane-2,3,4-triol is CC[C@@H](O)[C@@H](O)[C@H](C)O.
What is the InChIKey of (2S,3S,4R)-hexane-2,3,4-triol?
The InChIKey is QPNQLFAXFXPMSV-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H14O3/c1-3-5(8)6(9)4(2)7/h4-9H,3H2,1-2H3/t4-,5+,6-/m0/s1.
What are the key properties of (2S,3S,4R)-hexane-2,3,4-triol?
(2S,3S,4R)-hexane-2,3,4-triol has a molecular weight of 134.17 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-hexane-2,3,4-triol is sourced from PubChem (CID 91758700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).