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124190-29-0 | 2-Piperazinecarboxylic acid, 4-(3-phosphonopropyl)-, (2S)-
CAS No: 124190-29-0 Catalog No: AG000LNR MDL No:
Product Description
Catalog Number:
AG000LNR
Chemical Name:
2-Piperazinecarboxylic acid, 4-(3-phosphonopropyl)-, (2S)-
CAS Number:
124190-29-0
Molecular Formula:
C8H17N2O5P
Molecular Weight:
252.2047
IUPAC Name:
(2S)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
InChI:
InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m0/s1
InChI Key:
CUVGUPIVTLGRGI-ZETCQYMHSA-N
SMILES:
OC(=O)[C@H]1NCCN(C1)CCCP(=O)(O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
252.207g/mol
Monoisotopic Mass:
252.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.8
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