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Methyl 5-diethoxyphosphoryl-2-formamido-2-methylpent-3-enoate

HCID 53799545
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Basic information

Standard SMILES
CCOP(=O)(CC=CC(C)(NC=O)C(=O)OC)OCC
InChIKey
FHLBXLJGQVBTOC-UHFFFAOYSA-N
Molecular formula
C12H22NO6P
Average molar mass
307.28 g/mol

Names & identifiers

Preferred name
Methyl 5-diethoxyphosphoryl-2-formamido-2-methylpent-3-enoate
IUPAC
methyl 5-diethoxyphosphoryl-2-formamido-2-methylpent-3-enoate

Database identifiers

PubChem CID
53799545

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
90.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
20
Formal charge
0
Complexity
387

Related reactions

1 records
New reaction record
HRID 136217 reaction equation
HRID 136217As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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