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Substance Name: ((5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid
RN: 117627-21-1
InChIKey: YWTLGKCIOMEZNR-TZQXKBMNSA-N

Molecular Formula

  • C12-H16-N5-O9-P

Molecular Weight

  • 405.2584
 
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Names and Synonyms

  • ((5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid

Registry Numbers

CAS Registry Number

  • 117627-21-1

System Generated Number

  • 0117627211

Structure Descriptors

InChI

1S/C12H16N5O9P/c13-12-15-9-6(10(22)16-12)14-3-17(9)11-8(21)7(20)4(26-11)1-25-27(23,24)2-5(18)19/h3-4,7-8,11,20-21H,1-2H2,(H,18,19)(H,23,24)(H3,13,15,16,22)/t4-,7-,8-,11-/m1/s1

InChIKey

YWTLGKCIOMEZNR-TZQXKBMNSA-N

Smiles

c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CC(=O)O)O)O)O)N