NPE-CAGED-XTP TRIETHYLAMMONIUM SALT

CAS No.
CCD No.
CCD00516937
Formula
C18 H22 N5 O17 P3 . 3 C6 H15 N
MolWeight
976.886

Basic Information

Product Name: NPE-CAGED-XTP TRIETHYLAMMONIUM SALT
English Synonyms: XANTHOSINE-5'-TRIPHOSPHATE, P3-(1-(2-NITROPHENYL)-ETHYL)-ESTER, TRIETHYLAMMONIUM SALT ; NPE-CAGED-XTP TRIETHYLAMMONIUM SALT
MDL Number.: MFCD06200362
H bond acceptor: 22
H bond donor: 7
Smile: CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CC(c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3[nH]c(=O)[nH]c4=O)O)O
InChi: InChI=1S/C18H22N5O17P3.3C6H15N/c1-8(9-4-2-3-5-10(9)23(28)29)38-42(32,33)40-43(34,35)39-41(30,31)36-6-11-13(24)14(25)17(37-11)22-7-19-12-15(22)20-18(27)21-16(12)26;3*1-4-7(5-2)6-3/h2-5,7-8,11,13-14,17,24-25H,6H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H2,20,21,26,27);3*4-6H2,1-3H3/t8?,11-,13-,14-,17-;;;/m1.../s1
InChiKey: InChIKey=ZIPPAJRQOAMBET-BMSCCNMBSA-N

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