phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid

C6H15O10P — CID 87191491

IUPACphosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid
SMILESO=C(O)[C@H](O)C[C@@H](O)[C@H](O)CO.O=P(O)(O)O
InChIInChI=1S/C6H12O6.H3O4P/c7-2-5(10)3(8)1-4(9)6(11)12;1-5(2,3)4/h3-5,7-10H,1-2H2,(H,11,12);(H3,1,2,3,4)/t3-,4-,5-;/m1./s1
InChIKeySZDQARUAPBCFKA-DEVUXVJFSA-N
MW278.15 g/mol
LogP-3.39
Rot. Bonds5

About phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid

phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid (PubChem CID 87191491) has the molecular formula C6H15O10P and a molecular weight of 278.15 g/mol. Its IUPAC name is phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid.

Molecular Properties

Compound Namephosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid
PubChem CID87191491
Molecular FormulaC6H15O10P
Molecular Weight278.15 g/mol
Exact Mass278.04
IUPAC Namephosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid
SMILESO=C(O)[C@H](O)C[C@@H](O)[C@H](O)CO.O=P(O)(O)O
InChIInChI=1S/C6H12O6.H3O4P/c7-2-5(10)3(8)1-4(9)6(11)12;1-5(2,3)4/h3-5,7-10H,1-2H2,(H,11,12);(H3,1,2,3,4)/t3-,4-,5-;/m1./s1
InChIKeySZDQARUAPBCFKA-DEVUXVJFSA-N
XLogP-3.39
TPSA195.98 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.15
LogP ≤ 5-3.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic 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

phosphoric acid;2,4,5-trihydroxypentanoic acid
CID 175386641
2,4,5-trihydroxyheptanedioic acid
CID 167409175
2,3,5-trihydroxyhexanedioic acid
CID 1737
2,3-dihydroxypropanoic acid
CID 175601105
dipotassium;hydride;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;phosphoric acid
CID 173294441
(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid
CID 141248339
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 131873477
CID 131873477
3-hydroxypropane-1,1,3-tricarboxylic acid
CID 150529276
CID 156591905
CID 156591905
CID 158303129
CID 158303129

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid?
The IUPAC name of phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid (CID 87191491) is phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid.
What is the SMILES notation for phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid?
The canonical SMILES for phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid is O=C(O)[C@H](O)C[C@@H](O)[C@H](O)CO.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid?
The InChIKey is SZDQARUAPBCFKA-DEVUXVJFSA-N. The full InChI is InChI=1S/C6H12O6.H3O4P/c7-2-5(10)3(8)1-4(9)6(11)12;1-5(2,3)4/h3-5,7-10H,1-2H2,(H,11,12);(H3,1,2,3,4)/t3-,4-,5-;/m1./s1.
What are the key properties of phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid?
phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid has a molecular weight of 278.15 g/mol, XLogP of -3.39, 5 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid is sourced from PubChem (CID 87191491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).