Cas no 94139-16-9 (Sucrose pentamyristate)
Sucrose pentamyristate structure
Product Name:Sucrose pentamyristate
CAS No:94139-16-9
MF:C82H152O16
MW:1394.0747089386
CID:817577
PubChem ID:44151980
Update Time:2025-04-19
Sucrose pentamyristate Chemical and Physical Properties
Names and Identifiers
-
- Sucrose pentamyristate
- [(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-tetradecanoyloxyoxan-2-yl]oxy-3,4-di(tetradecanoyloxy)-5-(tetradecanoyloxymethyl)oxolan-2-yl]methyl tetradecanoate
- DTXSID20240800
- EINECS 303-032-6
- 94139-16-9
-
- Inchi： 1S/C82H152O16/c1-6-11-16-21-26-31-36-41-46-51-56-61-71(84)91-67-70-78(94-73(86)63-58-53-48-43-38-33-28-23-18-13-8-3)80(96-75(88)65-60-55-50-45-40-35-30-25-20-15-10-5)82(97-70,68-92-72(85)62-57-52-47-42-37-32-27-22-17-12-7-2)98-81-79(77(90)76(89)69(66-83)93-81)95-74(87)64-59-54-49-44-39-34-29-24-19-14-9-4/h69-70,76-81,83,89-90H,6-68H2,1-5H3/t69-,70-,76-,77+,78-,79-,80+,81-,82+/m1/s1
- InChI Key： BZYKMLANACVTGP-SPSJIOHRSA-N
- SMILES： O1[C@H](COC(CCCCCCCCCCCCC)=O)[C@H]([C@@H]([C@]1(COC(CCCCCCCCCCCCC)=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)OC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 1393.108
- Monoisotopic Mass: 1393.108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 98
- Rotatable Bond Count: 75
- Complexity: 1890
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 220A^2
- XLogP3: 29.1
Experimental Properties
- Density: 1.04
- Boiling Point: 1106.4°Cat760mmHg
- Flash Point: 255.2°C
- Refractive Index: 1.504
Sucrose pentamyristate Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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