phosphono phosphonooxy carbonate

CH4O10P2 — CID 171781128

IUPACphosphono phosphonooxy carbonate
SMILESO=C(OOP(=O)(O)O)OP(=O)(O)O
InChIInChI=1S/CH4O10P2/c2-1(10-12(3,4)5)9-11-13(6,7)8/h(H2,3,4,5)(H2,6,7,8)
InChIKeyMVHPCYWTTVFCDL-UHFFFAOYSA-N
MW237.98 g/mol
LogP-0.74
Rot. Bonds3

About phosphono phosphonooxy carbonate

phosphono phosphonooxy carbonate (PubChem CID 171781128) has the molecular formula CH4O10P2 and a molecular weight of 237.98 g/mol. Its IUPAC name is phosphono phosphonooxy carbonate.

Molecular Properties

Compound Namephosphono phosphonooxy carbonate
PubChem CID171781128
Molecular FormulaCH4O10P2
Molecular Weight237.98 g/mol
Exact Mass237.93
IUPAC Namephosphono phosphonooxy carbonate
SMILESO=C(OOP(=O)(O)O)OP(=O)(O)O
InChIInChI=1S/CH4O10P2/c2-1(10-12(3,4)5)9-11-13(6,7)8/h(H2,3,4,5)(H2,6,7,8)
InChIKeyMVHPCYWTTVFCDL-UHFFFAOYSA-N
XLogP-0.74
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.98
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
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

hexacalcium;diphosphono carbonate;hydride
CID 173199692
tricalcium;magnesium;hydride;phosphono phosphonooxycarbonyl carbonate
CID 174799176
phosphono 2,2-dihydroxyacetate
CID 18352457
tetrasodium;hydride;phosphonooxy dihydrogen phosphate
CID 173345146
Carbamic acid, monoanhydride with phosphoric acid, dilithium salt
CID 87130155
dilithium;hydride;phosphono hydrogen carbonate
CID 174596841
dicalcium;hydride;phosphono hydrogen carbonate
CID 173003816
(E)-4-oxo-4-phosphonooxybut-2-enoic acid
CID 173191620
potassium;sodium;hydride;phosphono hydrogen carbonate
CID 174050740
trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
CID 175560096
lithium;potassium;phosphono acetate
CID 71300541
sodium;hydride;phosphono carbamate
CID 173413043

Frequently Asked Questions

What is the IUPAC name of phosphono phosphonooxy carbonate?
The IUPAC name of phosphono phosphonooxy carbonate (CID 171781128) is phosphono phosphonooxy carbonate.
What is the SMILES notation for phosphono phosphonooxy carbonate?
The canonical SMILES for phosphono phosphonooxy carbonate is O=C(OOP(=O)(O)O)OP(=O)(O)O.
What is the InChIKey of phosphono phosphonooxy carbonate?
The InChIKey is MVHPCYWTTVFCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O10P2/c2-1(10-12(3,4)5)9-11-13(6,7)8/h(H2,3,4,5)(H2,6,7,8).
What are the key properties of phosphono phosphonooxy carbonate?
phosphono phosphonooxy carbonate has a molecular weight of 237.98 g/mol, XLogP of -0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono phosphonooxy carbonate is sourced from PubChem (CID 171781128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).