Home Other Building Blocks DIHYDROFOLIC ACID

DIHYDROFOLIC ACID

CAS No.:
4033-27-6
Catalog Number:
AG003PJ0
Molecular Formula:
C19H21N7O6
Molecular Weight:
443.4133
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Product Description
Catalog Number:
AG003PJ0
Chemical Name:
DIHYDROFOLIC ACID
CAS Number:
4033-27-6
Molecular Formula:
C19H21N7O6
Molecular Weight:
443.4133
MDL Number:
MFCD00149226
IUPAC Name:
(2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C19H21N7O6/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/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1
InChI Key:
OZRNSSUDZOLUSN-LBPRGKRZSA-N
SMILES:
OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1=Nc2c(NC1)nc([nH]c2=O)N
UNII:
KXP0KNM559
Properties
Complexity:
889  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
443.155g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
443.42g/mol
Monoisotopic Mass:
443.155g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
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Properties