[hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)

C16H26N2O9P2 — CID 139085147

IUPAC[hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)
SMILESCOc1ccc(C[NH3+])cc1.COc1ccc(C[NH3+])cc1.O=P([O-])(O)OP(=O)([O-])O
InChIInChI=1S/2C8H11NO.H4O7P2/c2*1-10-8-4-2-7(6-9)3-5-8;1-8(2,3)7-9(4,5)6/h2*2-5H,6,9H2,1H3;(H2,1,2,3)(H2,4,5,6)
InChIKeyWTWXTNQMYLMHNR-UHFFFAOYSA-N
MW452.34 g/mol
LogP-1.20
Rot. Bonds6

About [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)

[hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium) (PubChem CID 139085147) has the molecular formula C16H26N2O9P2 and a molecular weight of 452.34 g/mol. Its IUPAC name is [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium).

Molecular Properties

Compound Name[hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)
PubChem CID139085147
Molecular FormulaC16H26N2O9P2
Molecular Weight452.34 g/mol
Exact Mass452.11
IUPAC Name[hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)
SMILESCOc1ccc(C[NH3+])cc1.COc1ccc(C[NH3+])cc1.O=P([O-])(O)OP(=O)([O-])O
InChIInChI=1S/2C8H11NO.H4O7P2/c2*1-10-8-4-2-7(6-9)3-5-8;1-8(2,3)7-9(4,5)6/h2*2-5H,6,9H2,1H3;(H2,1,2,3)(H2,4,5,6)
InChIKeyWTWXTNQMYLMHNR-UHFFFAOYSA-N
XLogP-1.20
TPSA203.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium) 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

(4-methoxyphenyl)methoxy-methylphosphinic acid
CID 18801166
lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate
CID 140684013
(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
CID 7004098
CID 175604529
CID 175604529
(4-methoxyphenyl)methanol
CID 7738
4-diazo-1-(4-methoxyphenyl)pentan-3-one
CID 85408653
[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
CID 70420158
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)
CID 173331709
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
prop-1-en-2-yl 2-(4-methoxyphenyl)acetate
CID 89069215
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218

Frequently Asked Questions

What is the IUPAC name of [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)?
The IUPAC name of [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium) (CID 139085147) is [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium).
What is the SMILES notation for [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)?
The canonical SMILES for [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium) is COc1ccc(C[NH3+])cc1.COc1ccc(C[NH3+])cc1.O=P([O-])(O)OP(=O)([O-])O.
What is the InChIKey of [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)?
The InChIKey is WTWXTNQMYLMHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11NO.H4O7P2/c2*1-10-8-4-2-7(6-9)3-5-8;1-8(2,3)7-9(4,5)6/h2*2-5H,6,9H2,1H3;(H2,1,2,3)(H2,4,5,6).
What are the key properties of [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)?
[hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium) has a molecular weight of 452.34 g/mol, XLogP of -1.20, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium) is sourced from PubChem (CID 139085147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).