[hydroxy(phosphonooxy)phosphoryl] carbamate

CH5NO8P2 — CID 174634052

IUPAC[hydroxy(phosphonooxy)phosphoryl] carbamate
SMILESNC(=O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/CH5NO8P2/c2-1(3)9-12(7,8)10-11(4,5)6/h(H2,2,3)(H,7,8)(H2,4,5,6)
InChIKeyYERONCCXYORJBK-UHFFFAOYSA-N
MW221.00 g/mol
LogP-0.71
Rot. Bonds3

About [hydroxy(phosphonooxy)phosphoryl] carbamate

[hydroxy(phosphonooxy)phosphoryl] carbamate (PubChem CID 174634052) has the molecular formula CH5NO8P2 and a molecular weight of 221.00 g/mol. Its IUPAC name is [hydroxy(phosphonooxy)phosphoryl] carbamate.

Molecular Properties

Compound Name[hydroxy(phosphonooxy)phosphoryl] carbamate
PubChem CID174634052
Molecular FormulaCH5NO8P2
Molecular Weight221.00 g/mol
Exact Mass220.95
IUPAC Name[hydroxy(phosphonooxy)phosphoryl] carbamate
SMILESNC(=O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/CH5NO8P2/c2-1(3)9-12(7,8)10-11(4,5)6/h(H2,2,3)(H,7,8)(H2,4,5,6)
InChIKeyYERONCCXYORJBK-UHFFFAOYSA-N
XLogP-0.71
TPSA156.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, monoanhydride with phosphoric acid, dilithium salt
CID 87130155
sodium;hydride;phosphono carbamate
CID 173413043
calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate
CID 174664058
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
CID 170843855
CID 170843855
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
[ethenoxy(hydroxy)phosphoryl] carbamate
CID 163620088
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
CID 131848730
CID 131848730
3-methylbut-2-en-2-yl phosphono hydrogen phosphate
CID 141153838

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phosphonooxy)phosphoryl] carbamate?
The IUPAC name of [hydroxy(phosphonooxy)phosphoryl] carbamate (CID 174634052) is [hydroxy(phosphonooxy)phosphoryl] carbamate.
What is the SMILES notation for [hydroxy(phosphonooxy)phosphoryl] carbamate?
The canonical SMILES for [hydroxy(phosphonooxy)phosphoryl] carbamate is NC(=O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [hydroxy(phosphonooxy)phosphoryl] carbamate?
The InChIKey is YERONCCXYORJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO8P2/c2-1(3)9-12(7,8)10-11(4,5)6/h(H2,2,3)(H,7,8)(H2,4,5,6).
What are the key properties of [hydroxy(phosphonooxy)phosphoryl] carbamate?
[hydroxy(phosphonooxy)phosphoryl] carbamate has a molecular weight of 221.00 g/mol, XLogP of -0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phosphonooxy)phosphoryl] carbamate is sourced from PubChem (CID 174634052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).