Diethyl 3-(((carboxyamino)(3-methoxyureido)phosphinyl)carbamoyl)carbazate

HCID 97287

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Basic information

CAS: 16757-56-5
Standard SMILES: CCOC(=O)NNC(=O)NP(=O)(NC(=O)NOC)NC(=O)OCC
InChIKey: AWIJASSTGJLNDU-UHFFFAOYSA-N
Molecular formula: C9H19N6O8P
Average molar mass: 370.26 g/mol
Monoisotopic mass: 370.10019858

Names & identifiers

Preferred name: Diethyl 3-(((carboxyamino)(3-methoxyureido)phosphinyl)carbamoyl)carbazate
IUPAC: ethyl N-[[(ethoxycarbonylamino)carbamoylamino]-(methoxycarbamoylamino)phosphoryl]carbamate

Names & synonyms

NSC11213516757-56-5NSC 112135BRN 3017376Diethyl 3-(((carboxyamino)(3-methoxyureido)phosphinyl)carbamoyl)carbazateethyl 6-[(ethoxycarbonyl)amino]-4,8-dioxo-2-oxa-3,5,7,9,10-pentaaza-6-phosphaundecan-11-oate 6-oxideCarbazic acid, 3-(((carboxyamino)(3-methoxyureido)phosphinyl)carbamoyl)-, diethyl esterNSC-112135ethyl N-[[(ethoxycarbonylamino)carbamoylamino]-(methoxycarbamoylamino)phosphoryl]carbamate

Database identifiers

CAS: 16757-56-5
PubChem CID: 97287

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 185 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 514

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