pentane-1,2,3,4-tetrol;phosphoric acid

C5H15O8P — CID 174620761

IUPACpentane-1,2,3,4-tetrol;phosphoric acid
SMILESCC(O)C(O)C(O)CO.O=P(O)(O)O
InChIInChI=1S/C5H12O4.H3O4P/c1-3(7)5(9)4(8)2-6;1-5(2,3)4/h3-9H,2H2,1H3;(H3,1,2,3,4)
InChIKeyMAKBWIUHFAVVJP-UHFFFAOYSA-N
MW234.14 g/mol
LogP-2.85
Rot. Bonds3

About pentane-1,2,3,4-tetrol;phosphoric acid

pentane-1,2,3,4-tetrol;phosphoric acid (PubChem CID 174620761) has the molecular formula C5H15O8P and a molecular weight of 234.14 g/mol. Its IUPAC name is pentane-1,2,3,4-tetrol;phosphoric acid.

Molecular Properties

Compound Namepentane-1,2,3,4-tetrol;phosphoric acid
PubChem CID174620761
Molecular FormulaC5H15O8P
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Namepentane-1,2,3,4-tetrol;phosphoric acid
SMILESCC(O)C(O)C(O)CO.O=P(O)(O)O
InChIInChI=1S/C5H12O4.H3O4P/c1-3(7)5(9)4(8)2-6;1-5(2,3)4/h3-9H,2H2,1H3;(H3,1,2,3,4)
InChIKeyMAKBWIUHFAVVJP-UHFFFAOYSA-N
XLogP-2.85
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.14
LogP ≤ 5-2.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze pentane-1,2,3,4-tetrol;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-pentane-1,2,3,4-tetrol;phosphoric acid
CID 159509366
(3R,4R)-pentane-1,2,3,4-tetrol
CID 89370817
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;phosphoric acid
CID 87218150
(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol
CID 158918319
(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal;phosphoric acid
CID 159752699
(2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one
CID 56619103
(2R,3R,4S,5R,8R,9S,10R,11R)-1,2,3,4,5,8,9,10,11-nonahydroxydodecane-6,7-dione
CID 21336140
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87725092
(2S,3R,4R,5S,6R,8S,9R,10R,11S,12R,13R)-1,2,3,4,5,6,8,9,10,11,12,13-dodecahydroxytetradecan-7-one
CID 54524447
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2R,3R)-butane-1,2,3-triol
CID 6398419

Frequently Asked Questions

What is the IUPAC name of pentane-1,2,3,4-tetrol;phosphoric acid?
The IUPAC name of pentane-1,2,3,4-tetrol;phosphoric acid (CID 174620761) is pentane-1,2,3,4-tetrol;phosphoric acid.
What is the SMILES notation for pentane-1,2,3,4-tetrol;phosphoric acid?
The canonical SMILES for pentane-1,2,3,4-tetrol;phosphoric acid is CC(O)C(O)C(O)CO.O=P(O)(O)O.
What is the InChIKey of pentane-1,2,3,4-tetrol;phosphoric acid?
The InChIKey is MAKBWIUHFAVVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.H3O4P/c1-3(7)5(9)4(8)2-6;1-5(2,3)4/h3-9H,2H2,1H3;(H3,1,2,3,4).
What are the key properties of pentane-1,2,3,4-tetrol;phosphoric acid?
pentane-1,2,3,4-tetrol;phosphoric acid has a molecular weight of 234.14 g/mol, XLogP of -2.85, 3 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,2,3,4-tetrol;phosphoric acid is sourced from PubChem (CID 174620761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).