CID 88825483

C3H9NaO4P — CID 88825483

IUPAC—
SMILESCC(O)COP(O)O.[Na]
InChIInChI=1S/C3H9O4P.Na/c1-3(4)2-7-8(5)6;/h3-6H,2H2,1H3;
InChIKeyQEHLKDHEQGITEJ-UHFFFAOYSA-N
MW163.06 g/mol
LogP-0.79
Rot. Bonds3

About CID 88825483

CID 88825483 (PubChem CID 88825483) has the molecular formula C3H9NaO4P and a molecular weight of 163.06 g/mol.

Molecular Properties

Compound NameCID 88825483
PubChem CID88825483
Molecular FormulaC3H9NaO4P
Molecular Weight163.06 g/mol
Exact Mass163.01
IUPAC Name—
SMILESCC(O)COP(O)O.[Na]
InChIInChI=1S/C3H9O4P.Na/c1-3(4)2-7-8(5)6;/h3-6H,2H2,1H3;
InChIKeyQEHLKDHEQGITEJ-UHFFFAOYSA-N
XLogP-0.79
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Propanediol, 1-(dihydrogen phosphate)
CID 440156
1,2-Propanediol 1-phosphate
CID 18179361
Deoxy-sn-glycerol 3-phosphate
CID 54592392
Propan-1-ol 2-phosphate
CID 3082077
[(2S)-2-hydroxypropyl] dihydrogen phosphate
CID 12916853
2-Hydroxypropyl methyl hydrogen phosphate
CID 11789628
[(2R)-3-fluoro-2-hydroxypropoxy]-hydroxy-dimethoxyphosphanium
CID 89362524
2-Hydroxypropyl hydrogen phosphate
CID 21678688
2-Hydroxypropyl propan-2-yl hydrogen phosphate
CID 123558901
Methyl propylene glycol thiophosphate
CID 129813260
Disodium;2-hydroxypropyl phosphate
CID 170848495
Bis(2-hydroxypropoxy)-oxophosphanium
CID 10535941

Frequently Asked Questions

What is the IUPAC name of CID 88825483?
The IUPAC name of CID 88825483 (CID 88825483) is not available.
What is the SMILES notation for CID 88825483?
The canonical SMILES for CID 88825483 is CC(O)COP(O)O.[Na].
What is the InChIKey of CID 88825483?
The InChIKey is QEHLKDHEQGITEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P.Na/c1-3(4)2-7-8(5)6;/h3-6H,2H2,1H3;.
What are the key properties of CID 88825483?
CID 88825483 has a molecular weight of 163.06 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88825483 is sourced from PubChem (CID 88825483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).