(2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol

C6H15O6P — CID 140970291

IUPAC(2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)P
InChIInChI=1S/C6H15O6P/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-12H,1,13H2/t2-,3-,4-,5-,6?/m1/s1
InChIKeyJTRVMWHXXUFIAQ-IVMDWMLBSA-N
MW214.15 g/mol
LogP-3.38
Rot. Bonds5

About (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol

(2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol (PubChem CID 140970291) has the molecular formula C6H15O6P and a molecular weight of 214.15 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol
PubChem CID140970291
Molecular FormulaC6H15O6P
Molecular Weight214.15 g/mol
Exact Mass214.06
IUPAC Name(2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)P
InChIInChI=1S/C6H15O6P/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-12H,1,13H2/t2-,3-,4-,5-,6?/m1/s1
InChIKeyJTRVMWHXXUFIAQ-IVMDWMLBSA-N
XLogP-3.38
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.15
LogP ≤ 5-3.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol with MolForge

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Related Compounds

(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
hexane-1,1,2,3,4,5,6-heptol
CID 20721397
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
(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
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
CID 87266813
CID 87266813
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
CID 158428296
CID 158428296

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol (CID 140970291) is (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol is OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)P.
What is the InChIKey of (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol?
The InChIKey is JTRVMWHXXUFIAQ-IVMDWMLBSA-N. The full InChI is InChI=1S/C6H15O6P/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-12H,1,13H2/t2-,3-,4-,5-,6?/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol?
(2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol has a molecular weight of 214.15 g/mol, XLogP of -3.38, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 140970291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).