azido propan-2-yl hydrogen phosphate

C3H8N3O4P — CID 23045995

IUPACazido propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)ON=[N+]=[N-]
InChIInChI=1S/C3H8N3O4P/c1-3(2)9-11(7,8)10-6-5-4/h3H,1-2H3,(H,7,8)
InChIKeySBMKLDQNFIVJJC-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.75
Rot. Bonds4

About azido propan-2-yl hydrogen phosphate

azido propan-2-yl hydrogen phosphate (PubChem CID 23045995) has the molecular formula C3H8N3O4P and a molecular weight of 181.09 g/mol. Its IUPAC name is azido propan-2-yl hydrogen phosphate.

Molecular Properties

Compound Nameazido propan-2-yl hydrogen phosphate
PubChem CID23045995
Molecular FormulaC3H8N3O4P
Molecular Weight181.09 g/mol
Exact Mass181.03
IUPAC Nameazido propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)ON=[N+]=[N-]
InChIInChI=1S/C3H8N3O4P/c1-3(2)9-11(7,8)10-6-5-4/h3H,1-2H3,(H,7,8)
InChIKeySBMKLDQNFIVJJC-UHFFFAOYSA-N
XLogP1.75
TPSA104.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze azido propan-2-yl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
azidooxyphosphonamidic acid
CID 174774857
fluoro propan-2-yl hydrogen phosphate
CID 22590861
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate
CID 59471512
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
ethenyl propan-2-yl hydrogen phosphate
CID 101139347
calcium;dihydrogen phosphate;propan-2-yl hydrogen phosphate
CID 175259848
propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
CID 90328876
[hydroxy(phosphonooxy)phosphinothioyl] propan-2-yl hydrogen phosphate
CID 59471498
6-[hexadecoxy(hydroxy)phosphoryl]oxyhexyl propan-2-yl hydrogen phosphate
CID 153443822
tert-butyl [hydroxy-[hydroxy(propan-2-yloxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
CID 129302859

Frequently Asked Questions

What is the IUPAC name of azido propan-2-yl hydrogen phosphate?
The IUPAC name of azido propan-2-yl hydrogen phosphate (CID 23045995) is azido propan-2-yl hydrogen phosphate.
What is the SMILES notation for azido propan-2-yl hydrogen phosphate?
The canonical SMILES for azido propan-2-yl hydrogen phosphate is CC(C)OP(=O)(O)ON=[N+]=[N-].
What is the InChIKey of azido propan-2-yl hydrogen phosphate?
The InChIKey is SBMKLDQNFIVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N3O4P/c1-3(2)9-11(7,8)10-6-5-4/h3H,1-2H3,(H,7,8).
What are the key properties of azido propan-2-yl hydrogen phosphate?
azido propan-2-yl hydrogen phosphate has a molecular weight of 181.09 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azido propan-2-yl hydrogen phosphate is sourced from PubChem (CID 23045995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).