N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid

C3H12NO9P3 — CID 70700175

IUPACN,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid
SMILESCOP(=O)(O)N(P(=O)(O)OC)P(=O)(O)OC
InChIInChI=1S/C3H12NO9P3/c1-11-14(5,6)4(15(7,8)12-2)16(9,10)13-3/h1-3H3,(H,5,6)(H,7,8)(H,9,10)
InChIKeyVNDQAQJERHGYCM-UHFFFAOYSA-N
MW299.05 g/mol
LogP0.53
Rot. Bonds6

About N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid

N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid (PubChem CID 70700175) has the molecular formula C3H12NO9P3 and a molecular weight of 299.05 g/mol. Its IUPAC name is N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid.

Molecular Properties

Compound NameN,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid
PubChem CID70700175
Molecular FormulaC3H12NO9P3
Molecular Weight299.05 g/mol
Exact Mass298.97
IUPAC NameN,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid
SMILESCOP(=O)(O)N(P(=O)(O)OC)P(=O)(O)OC
InChIInChI=1S/C3H12NO9P3/c1-11-14(5,6)4(15(7,8)12-2)16(9,10)13-3/h1-3H3,(H,5,6)(H,7,8)(H,9,10)
InChIKeyVNDQAQJERHGYCM-UHFFFAOYSA-N
XLogP0.53
TPSA142.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.05
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid?
The IUPAC name of N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid (CID 70700175) is N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid.
What is the SMILES notation for N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid?
The canonical SMILES for N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid is COP(=O)(O)N(P(=O)(O)OC)P(=O)(O)OC.
What is the InChIKey of N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid?
The InChIKey is VNDQAQJERHGYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12NO9P3/c1-11-14(5,6)4(15(7,8)12-2)16(9,10)13-3/h1-3H3,(H,5,6)(H,7,8)(H,9,10).
What are the key properties of N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid?
N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid has a molecular weight of 299.05 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid is sourced from PubChem (CID 70700175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).