Pro_Molecular_Structure:
pro_cdbregno:CCD00064487
D(PC)12 AMMONIUM SALT
pro_cas:
29795-73-1
pro_formula:C108 H145 N36 O73 P12 . H4 N
pro_molWeight:3505.24
* If the product has intellectual property rights, a license granted is must or contact us.
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| Product_Name： | D(PC)12 AMMONIUM SALT |
| CAS： | 29795-73-1 |
| EnglishSynonyms： | D(PC)12 AMMONIUM SALT ; OLIGO D(PC)N AMMONIUM SALT |
| pro_mdlNumber： | MFCD00133708 |
| pro_acceptors： | 109 |
| pro_donors： | 25 |
| pro_smile： | c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)n4ccc(nc4=O)N)OP(=O)(O)OC[C@@H]5[C@H](C[C@@H](O5)n6ccc(nc6=O)N)OP(=O)(O)OC[C@@H]7[C@H](C[C@@H](O7)n8ccc(nc8=O)N)OP(=O)(O)OC[C@@H]9[C@H](C[C@@H](O9)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1C(C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(O)[O-].[NH4+] |
| InChi： | InChI=1S/C108H146N36O73P12.H3N/c109-73-1-13-133(97(146)121-73)85-25-49(61(37-145)194-85)207-219(161,162)184-39-63-51(27-87(196-63)135-15-3-75(111)123-99(135)148)209-221(165,166)186-41-65-53(29-89(198-65)137-17-5-77(113)125-101(137)150)211-223(169,170)188-43-67-55(31-91(200-67)139-19-7-79(115)127-103(139)152)213-225(173,174)190-45-69-57(33-93(202-69)141-21-9-81(117)129-105(141)154)215-227(177,178)192-47-71-59(35-95(204-71)143-23-11-83(119)131-107(143)156)217-229(181,182)193-48-72-60(36-96(205-72)144-24-12-84(120)132-108(144)157)216-228(179,180)191-46-70-58(34-94(203-70)142-22-10-82(118)130-106(142)155)214-226(175,176)189-44-68-56(32-92(201-68)140-20-8-80(116)128-104(140)153)212-224(171,172)187-42-66-54(30-90(199-66)138-18-6-78(114)126-102(138)151)210-222(167,168)185-40-64-52(28-88(197-64)136-16-4-76(112)124-100(136)149)208-220(163,164)183-38-62-50(206-218(158,159)160)26-86(195-62)134-14-2-74(110)122-98(134)147;/h1-24,49-72,85-96,145H,25-48H2,(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H2,109,121,146)(H2,110,122,147)(H2,111,123,148)(H2,112,124,149)(H2,113,125,150)(H2,114,126,151)(H2,115,127,152)(H2,116,128,153)(H2,117,129,154)(H2,118,130,155)(H2,119,131,156)(H2,120,132,157)(H2,158,159,160);1H3/t49-,50?,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+;/m0./s1 |
| InChiKey： | InChIKey=TYJMKZWKQYYQLW-MVPKETIKSA-N |
basic_info
* If the product has intellectual property rights, a license granted is must or contact us.
