ADENOSINE MONOPHOSPHATE HYDRATE

CAS No.
130-49-4
CCD No.
CCD00081448
Formula
2 C10 H14 N5 O7 P . H2 O
MolWeight
712.46

Basic Information

Product Name: ADENOSINE MONOPHOSPHATE HYDRATE
CAS: 130-49-4
English Synonyms: ADENYLIC ACID HYDRATE ; ADENOSINE 2' - & 3'-MONOPHOSPHATEFREE ACID ; ADENOSINE MONOPHOSPHATE HYDRATE ; ADENOSINE-2' & 3'-MONOPHOSPHATE 97% CRYSTALLINE MIXED ISOMERS
MDL Number.: MFCD00167045
H bond acceptor: 12
H bond donor: 5
Smile: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N.c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N.O
InChi: InChI=1S/2C10H14N5O7P.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20;11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10;/h2*2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);1H2/t2*4-,6-,7-,10-;/m11./s1
InChiKey: InChIKey=SRTUTDCMEXXEHY-JZBGLOBFSA-N

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