hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate

C3H9O8P — CID 174800501

IUPAChydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
SMILESO=C(CO)COP(=O)(O)O.OO
InChIInChI=1S/C3H7O6P.H2O2/c4-1-3(5)2-9-10(6,7)8;1-2/h4H,1-2H2,(H2,6,7,8);1-2H
InChIKeyGRSYTUFMSLJUAO-UHFFFAOYSA-N
MW204.07 g/mol
LogP-1.33
Rot. Bonds4

About hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate

hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate (PubChem CID 174800501) has the molecular formula C3H9O8P and a molecular weight of 204.07 g/mol. Its IUPAC name is hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate.

Molecular Properties

Compound Namehydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
PubChem CID174800501
Molecular FormulaC3H9O8P
Molecular Weight204.07 g/mol
Exact Mass204.00
IUPAC Namehydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
SMILESO=C(CO)COP(=O)(O)O.OO
InChIInChI=1S/C3H7O6P.H2O2/c4-1-3(5)2-9-10(6,7)8;1-2/h4H,1-2H2,(H2,6,7,8);1-2H
InChIKeyGRSYTUFMSLJUAO-UHFFFAOYSA-N
XLogP-1.33
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 5-1.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
CID 175521798
2-oxobutyl dihydrogen phosphate
CID 57029304
(3-hydroxy-2-oxopropyl) dihydrogen phosphate;(2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl) dihydrogen phosphate
CID 135309142
methyl 4-oxo-5-phosphonooxypentanoate
CID 132838497
trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate
CID 117063828
2-phosphonooxyacetate
CID 20849060
(3-hydroxy-2-oxopropyl) (2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl) hydrogen phosphate
CID 4634718
ethyl 3-oxo-4-phosphonooxybutanoate
CID 132515992
nitric acid;2-phosphonooxyacetic acid
CID 141120748
[(3S)-3,4-dihydroxy-2-oxobutyl] dihydrogen phosphate
CID 5459897
barium(2+);bis(2-oxo-3-phosphonooxypropanoate)
CID 131698865
2-hydroxyacetic acid;phosphoric acid
CID 23322415

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate?
The IUPAC name of hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate (CID 174800501) is hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate.
What is the SMILES notation for hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate?
The canonical SMILES for hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate is O=C(CO)COP(=O)(O)O.OO.
What is the InChIKey of hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate?
The InChIKey is GRSYTUFMSLJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O6P.H2O2/c4-1-3(5)2-9-10(6,7)8;1-2/h4H,1-2H2,(H2,6,7,8);1-2H.
What are the key properties of hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate?
hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate has a molecular weight of 204.07 g/mol, XLogP of -1.33, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate is sourced from PubChem (CID 174800501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).