(2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium

C5H7O7P — CID 45479579

IUPAC(2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium
SMILESO=C(O)C(O)C(C[P+](=O)[O-])C(=O)O
InChIInChI=1S/C5H7O7P/c6-3(5(9)10)2(4(7)8)1-13(11)12/h2-3,6H,1H2,(H,7,8)(H,9,10)
InChIKeyYQEGOYHOURTPPX-UHFFFAOYSA-N
MW210.08 g/mol
LogP-1.76
Rot. Bonds5

About (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium

(2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium (PubChem CID 45479579) has the molecular formula C5H7O7P and a molecular weight of 210.08 g/mol. Its IUPAC name is (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium.

Molecular Properties

Compound Name(2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium
PubChem CID45479579
Molecular FormulaC5H7O7P
Molecular Weight210.08 g/mol
Exact Mass209.99
IUPAC Name(2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium
SMILESO=C(O)C(O)C(C[P+](=O)[O-])C(=O)O
InChIInChI=1S/C5H7O7P/c6-3(5(9)10)2(4(7)8)1-13(11)12/h2-3,6H,1H2,(H,7,8)(H,9,10)
InChIKeyYQEGOYHOURTPPX-UHFFFAOYSA-N
XLogP-1.76
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377
(1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium
CID 171439253
1-hydroxypentane-1,2,4-tricarboxylic acid
CID 159403665
potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate
CID 122361543
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
CID 175721627
CID 175721627
CID 88745910
CID 88745910
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569

Frequently Asked Questions

What is the IUPAC name of (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium?
The IUPAC name of (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium (CID 45479579) is (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium.
What is the SMILES notation for (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium?
The canonical SMILES for (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium is O=C(O)C(O)C(C[P+](=O)[O-])C(=O)O.
What is the InChIKey of (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium?
The InChIKey is YQEGOYHOURTPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O7P/c6-3(5(9)10)2(4(7)8)1-13(11)12/h2-3,6H,1H2,(H,7,8)(H,9,10).
What are the key properties of (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium?
(2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium has a molecular weight of 210.08 g/mol, XLogP of -1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium is sourced from PubChem (CID 45479579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).