Cas no 93980-59-7 (Sorbitan, tridocosanoate)
Sorbitan, tridocosanoate structure
Product Name:Sorbitan, tridocosanoate
CAS No:93980-59-7
MF:C72H138O8
MW:1131.8613448143
CID:803820
Update Time:2023-08-03
Sorbitan, tridocosanoate Chemical and Physical Properties
Names and Identifiers
-
- Sorbitan, tridocosanoate
- [(3S,4R,5R)-4-docosanoyloxy-5-[(1R)-1-docosanoyloxy-2-hydroxyethyl]oxolan-3-yl] docosanoate
- Sorbitan,tridocosanoate
-
- Inchi: 1S/C72H138O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-68(74)78-66(64-73)71-72(80-70(76)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)67(65-77-71)79-69(75)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66-67,71-73H,4-65H2,1-3H3/t66-,67+,71-,72-/m1/s1
- InChI Key: XUUYBJNPVCJVFA-WMGILXABSA-N
- SMILES: O1C[C@@H]([C@H]([C@H]1[C@@H](CO)OC(CCCCCCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 80
- Rotatable Bond Count: 68
- Complexity: 1290
- Topological Polar Surface Area: 108
Sorbitan, tridocosanoate Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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