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(2-Benzyloxycarbonylamino-ethyl)-phosphonic acid monoethyl ester

HCID 71420008
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
82155-14-4
Standard SMILES
CCOP(=O)(O)CCNC(=O)OCc1ccccc1
InChIKey
KGFULQNDASUZOE-UHFFFAOYSA-N
Molecular formula
C12H18NO5P
Average molar mass
287.25 g/mol
Monoisotopic mass
287.09225931

Names & identifiers

Preferred name
(2-Benzyloxycarbonylamino-ethyl)-phosphonic acid monoethyl ester
IUPAC
ethoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

Names & synonyms

82155-14-4SCHEMBL1442202DTXSID10839222KGFULQNDASUZOE-UHFFFAOYSA-N(2-benzyloxycarbonylamino-ethyl)-phosphonic acid monoethyl esterBenzyl (2-(ethoxy(hydroxy)phosphoryl)ethyl)carbamateEthyl hydrogen (2-{[(benzyloxy)carbonyl]amino}ethyl)phosphonate

Database identifiers

CAS
82155-14-4
PubChem CID
71420008
DTXSID
DTXSID10839222

Properties

Computed structural propertiesFilling in

XLogP
0.5
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
19
Formal charge
0
Complexity
317

Related reactions

3 records
New reaction record
HRID 1125609 reaction equation
HRID 1125609As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1614911 reaction equation
HRID 1614911As reactantuspto-grants-2014_07
HRID 1886998 reaction equation
HRID 1886998As productuspto-grants-2013_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes