NPE-CAGED-XMPPNP TRIETHYLAMMONIUM SALT

CAS No.
CCD No.
CCD00516941
Formula
C18 H23 N6 O16 P3 . 3 C6 H15 N
MolWeight
975.902

Basic Information

Product Name: NPE-CAGED-XMPPNP TRIETHYLAMMONIUM SALT
English Synonyms: NPE-CAGED-XMPPNP TRIETHYLAMMONIUM SALT ; XANTHOSINE-5'-[(BETA, GAMMA)-IMIDO]TRIPHOSPHATE, P3-(1-(2-NITROPHENYL)-ETHYL)-ESTER, TRIETHYLAMMONIUM SALT ; NPE-CAGED-XPPNHP TRIETHYLAMMONIUM SALT
MDL Number.: MFCD06200366
H bond acceptor: 22
H bond donor: 8
Smile: CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CC(c1ccccc1[N+](=O)[O-])OP(=O)(NP(=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)O
InChi: InChI=1S/C18H23N6O16P3.3C6H15N/c1-8(9-4-2-3-5-10(9)24(29)30)39-41(31,32)22-42(33,34)40-43(35,36)37-6-11-13(25)14(26)17(38-11)23-7-19-12-15(23)20-18(28)21-16(12)27;3*1-4-7(5-2)6-3/h2-5,7-8,11,13-14,17,25-26H,6H2,1H3,(H,35,36)(H2,20,21,27,28)(H3,22,31,32,33,34);3*4-6H2,1-3H3/t8?,11-,13-,14-,17-;;;/m1.../s1
InChiKey: InChIKey=VQSQIRZHHUAAAE-BMSCCNMBSA-N

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