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75708-92-8 | Folic acid dihydrate, 97%
CAS No: 75708-92-8 Catalog No: AG003QOE MDL No:MFCD00150769
Product Description
Catalog Number:
AG003QOE
Chemical Name:
Folic acid dihydrate, 97%
CAS Number:
75708-92-8
Molecular Formula:
C19H23N7O8
Molecular Weight:
477.4280
MDL Number:
MFCD00150769
IUPAC Name:
(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate
InChI:
InChI=1S/C19H19N7O6.2H2O/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);2*1H2/t12-;;/m0../s1
InChI Key:
ODYNNYOEHBJUQP-LTCKWSDVSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N.O.O
UNII:
0S1T5C0JZL
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
477.161g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
477.434g/mol
Monoisotopic Mass:
477.161g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
211A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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