(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid

C6H23O15P3 — CID 175778006

IUPAC(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.OP(O)O.OP(O)O.OP(O)O
InChIInChI=1S/C6H14O6.3H3O3P/c7-1-3(9)5(11)6(12)4(10)2-8;3*1-4(2)3/h3-12H,1-2H2;3*1-3H/t3-,4+,5-,6-;;;/m1.../s1
InChIKeyONBAVQKLZPXBNR-AZAVZNNYSA-N
MW428.16 g/mol
LogP-6.01
Rot. Bonds5

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

(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid (PubChem CID 175778006) has the molecular formula C6H23O15P3 and a molecular weight of 428.16 g/mol. Its IUPAC name is (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid.

Molecular Properties

Compound Name(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid
PubChem CID175778006
Molecular FormulaC6H23O15P3
Molecular Weight428.16 g/mol
Exact Mass428.02
IUPAC Name(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.OP(O)O.OP(O)O.OP(O)O
InChIInChI=1S/C6H14O6.3H3O3P/c7-1-3(9)5(11)6(12)4(10)2-8;3*1-4(2)3/h3-12H,1-2H2;3*1-3H/t3-,4+,5-,6-;;;/m1.../s1
InChIKeyONBAVQKLZPXBNR-AZAVZNNYSA-N
XLogP-6.01
TPSA303.45 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500428.16
LogP ≤ 5-6.01
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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

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Related Compounds

(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;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid?
The IUPAC name of (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid (CID 175778006) is (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid.
What is the SMILES notation for (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid?
The canonical SMILES for (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.OP(O)O.OP(O)O.OP(O)O.
What is the InChIKey of (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid?
The InChIKey is ONBAVQKLZPXBNR-AZAVZNNYSA-N. The full InChI is InChI=1S/C6H14O6.3H3O3P/c7-1-3(9)5(11)6(12)4(10)2-8;3*1-4(2)3/h3-12H,1-2H2;3*1-3H/t3-,4+,5-,6-;;;/m1.../s1.
What are the key properties of (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid?
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid has a molecular weight of 428.16 g/mol, XLogP of -6.01, 5 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid is sourced from PubChem (CID 175778006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).