(2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol

C7H16O5 — CID 59064032

IUPAC(2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol
SMILESC[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O5/c1-4(2-8)6(11)7(12)5(10)3-9/h4-12H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeyXIFXBRJBPNACTD-DBRKOABJSA-N
MW180.20 g/mol
LogP-2.31
Rot. Bonds5

About (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol

(2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol (PubChem CID 59064032) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol
PubChem CID59064032
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name(2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol
SMILESC[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O5/c1-4(2-8)6(11)7(12)5(10)3-9/h4-12H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeyXIFXBRJBPNACTD-DBRKOABJSA-N
XLogP-2.31
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol?
The IUPAC name of (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol (CID 59064032) is (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol.
What is the SMILES notation for (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol?
The canonical SMILES for (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol is C[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol?
The InChIKey is XIFXBRJBPNACTD-DBRKOABJSA-N. The full InChI is InChI=1S/C7H16O5/c1-4(2-8)6(11)7(12)5(10)3-9/h4-12H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol?
(2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol has a molecular weight of 180.20 g/mol, XLogP of -2.31, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol is sourced from PubChem (CID 59064032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).