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126104-92-5 | Phosphonic acid, [[[(tetrahydro-2-furanyl)methyl]amino]methylene]bis- (9CI)
CAS No: 126104-92-5 Catalog No: AG000RMQ MDL No:
Product Description
Catalog Number:
AG000RMQ
Chemical Name:
Phosphonic acid, [[[(tetrahydro-2-furanyl)methyl]amino]methylene]bis- (9CI)
CAS Number:
126104-92-5
Molecular Formula:
C6H15NO7P2
Molecular Weight:
275.1333
IUPAC Name:
[(oxolan-2-ylmethylamino)-phosphonomethyl]phosphonic acid
InChI:
InChI=1S/C6H15NO7P2/c8-15(9,10)6(16(11,12)13)7-4-5-2-1-3-14-5/h5-7H,1-4H2,(H2,8,9,10)(H2,11,12,13)
InChI Key:
VGQJHYWSFMLJCW-UHFFFAOYSA-N
SMILES:
OP(=O)(C(P(=O)(O)O)NCC1CCCO1)O
NSC Number:
722630
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
275.134g/mol
Monoisotopic Mass:
275.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.5
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