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16077-70-6 | 2,3,5,7,9,10-Hexaaza-6-phosphaundecanedioic acid, 6-[[[2-(ethoxycarbonyl)hydrazino]carbonyl]amino]-4,8-dioxo-, diethyl ester, 6-oxide (9CI)
CAS No: 16077-70-6 Catalog No: AG001VBG MDL No:
Product Description
Catalog Number:
AG001VBG
Chemical Name:
2,3,5,7,9,10-Hexaaza-6-phosphaundecanedioic acid, 6-[[[2-(ethoxycarbonyl)hydrazino]carbonyl]amino]-4,8-dioxo-, diethyl ester, 6-oxide (9CI)
CAS Number:
16077-70-6
Molecular Formula:
C12H24N9O10P
Molecular Weight:
485.3470
IUPAC Name:
ethyl N-[bis[(ethoxycarbonylamino)carbamoylamino]phosphorylcarbamoylamino]carbamate
InChI:
InChI=1S/C12H24N9O10P/c1-4-29-10(25)16-13-7(22)19-32(28,20-8(23)14-17-11(26)30-5-2)21-9(24)15-18-12(27)31-6-3/h4-6H2,1-3H3,(H,16,25)(H,17,26)(H,18,27)(H6,13,14,15,19,20,21,22,23,24,28)
InChI Key:
AIWVESGHCFMUKG-UHFFFAOYSA-N
SMILES:
CCOC(=O)NNC(=O)NP(=O)(NC(=O)NNC(=O)OCC)NC(=O)NNC(=O)OCC
UNII:
YOPBJ1804I
NSC Number:
112748
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.138g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
485.351g/mol
Monoisotopic Mass:
485.138g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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