Cas no 111250-67-0 (Ono-4007 (free acid))
Ono-4007 (free acid) structure
Product Name:Ono-4007 (free acid)
CAS No:111250-67-0
MF:C50H78NNaO12S
MW:940.208606243134
CID:62867
PubChem ID:23663416
Update Time:2025-04-18
Ono-4007 (free acid) Chemical and Physical Properties
Names and Identifiers
-
- Ono-4007
- Ono-4007 (free acid)
- 2-Deoxy-3-O-(9-phenylnonanoyl)-2-[3(S)-(9-phenylnonanoyloxy)tetradecanamido]-4-O-sulfo-D-glucopyranose
- sodium;[(2R,3S,4R,5R)-6-hydroxy-2-(hydroxymethyl)-4-(9-phenylnonanoyloxy)-5-[[(3S)-3-(9-phenylnonanoyloxy)tetradecanoyl]amino]oxan-3-yl] sulfate
- 111250-67-0
- Ono-4007(free acid)
- SCHEMBL6795216
-
- Inchi： 1S/C50H79NO12S.Na/c1-2-3-4-5-6-7-8-15-26-35-42(60-45(54)36-27-16-11-9-13-20-29-40-31-22-18-23-32-40)38-44(53)51-47-49(48(63-64(57,58)59)43(39-52)61-50(47)56)62-46(55)37-28-17-12-10-14-21-30-41-33-24-19-25-34-41;/h18-19,22-25,31-34,42-43,47-50,52,56H,2-17,20-21,26-30,35-39H2,1H3,(H,51,53)(H,57,58,59);/q;+1/p-1/t42-,43+,47+,48+,49+,50?;/m0./s1
- InChI Key： KSLCVWMGAOQHEA-TZBBHZOSSA-M
- SMILES： S(=O)(=O)([O-])O[C@@H]1[C@@H](CO)OC([C@@H]([C@H]1OC(CCCCCCCCC1C=CC=CC=1)=O)NC(C[C@H](CCCCCCCCCCC)OC(CCCCCCCCC1C=CC=CC=1)=O)=O)O.[Na+]
Computed Properties
- Exact Mass: 939.51400
- Monoisotopic Mass: 939.51424238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 65
- Rotatable Bond Count: 38
- Complexity: 1340
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 206?2
Experimental Properties
- PSA: 206.20000
- LogP: 10.57920
Ono-4007 (free acid) Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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