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16077-69-3 | 6-Oxa-2,4-diaza-3-phosphaoctanoic acid, 3-[(ethoxycarbonyl)amino]-5-oxo-, ethyl ester, 3-oxide
CAS No: 16077-69-3 Catalog No: AG001VBH MDL No:
Product Description
Catalog Number:
AG001VBH
Chemical Name:
6-Oxa-2,4-diaza-3-phosphaoctanoic acid, 3-[(ethoxycarbonyl)amino]-5-oxo-, ethyl ester, 3-oxide
CAS Number:
16077-69-3
Molecular Formula:
C9H18N3O7P
Molecular Weight:
311.2289
IUPAC Name:
ethyl N-bis(ethoxycarbonylamino)phosphorylcarbamate
InChI:
InChI=1S/C9H18N3O7P/c1-4-17-7(13)10-20(16,11-8(14)18-5-2)12-9(15)19-6-3/h4-6H2,1-3H3,(H3,10,11,12,13,14,15,16)
InChI Key:
PLKLDTNHRCTQAO-UHFFFAOYSA-N
SMILES:
CCOC(=O)NP(=O)(NC(=O)OCC)NC(=O)OCC
UNII:
3278JGM4W5
NSC Number:
106179
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.231g/mol
Monoisotopic Mass:
311.088g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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