[(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid

C7H15O8P — CID 87770719

IUPAC[(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid
SMILESO=C[C@H](O)[C@@H](CP(=O)(O)O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15O8P/c8-1-5(10)4(3-16(13,14)15)7(12)6(11)2-9/h1,4-7,9-12H,2-3H2,(H2,13,14,15)/t4-,5+,6-,7+/m1/s1
InChIKeyVLLVLHAKAVPPJW-UCROKIRRSA-N
MW258.16 g/mol
LogP-2.95
Rot. Bonds7

About [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid

[(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid (PubChem CID 87770719) has the molecular formula C7H15O8P and a molecular weight of 258.16 g/mol. Its IUPAC name is [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid.

Molecular Properties

Compound Name[(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid
PubChem CID87770719
Molecular FormulaC7H15O8P
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name[(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid
SMILESO=C[C@H](O)[C@@H](CP(=O)(O)O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15O8P/c8-1-5(10)4(3-16(13,14)15)7(12)6(11)2-9/h1,4-7,9-12H,2-3H2,(H2,13,14,15)/t4-,5+,6-,7+/m1/s1
InChIKeyVLLVLHAKAVPPJW-UCROKIRRSA-N
XLogP-2.95
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.16
LogP ≤ 5-2.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic 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

phosphonomethylphosphonic acid;2,3,4,5-tetrahydroxypentanal
CID 174934677
(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal;phosphoric acid
CID 159752699
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808
(2R,3R,4R)-2,3,4,5-tetrahydroxy(2,3,4,5-13C4)pentanal
CID 87229143
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(2S,3R)-2,3,4-trihydroxy(113C)butanal
CID 131883807
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid?
The IUPAC name of [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid (CID 87770719) is [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid.
What is the SMILES notation for [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid?
The canonical SMILES for [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid is O=C[C@H](O)[C@@H](CP(=O)(O)O)[C@H](O)[C@H](O)CO.
What is the InChIKey of [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid?
The InChIKey is VLLVLHAKAVPPJW-UCROKIRRSA-N. The full InChI is InChI=1S/C7H15O8P/c8-1-5(10)4(3-16(13,14)15)7(12)6(11)2-9/h1,4-7,9-12H,2-3H2,(H2,13,14,15)/t4-,5+,6-,7+/m1/s1.
What are the key properties of [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid?
[(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid has a molecular weight of 258.16 g/mol, XLogP of -2.95, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid is sourced from PubChem (CID 87770719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).