Cas no 2425-84-5 (a-D-Glucopyranoside,1,3,4,6-tetra-O-benzoyl-b-D-fructofuranosyl, 2,3,4,6-tetrabenzoate)
2425-84-5 structure
Product Name:a-D-Glucopyranoside,1,3,4,6-tetra-O-benzoyl-b-D-fructofuranosyl, 2,3,4,6-tetrabenzoate
CAS No:2425-84-5
MF:C68H54O19
MW:1175.14498090744
CID:255032
Update Time:2025-04-19
a-D-Glucopyranoside,1,3,4,6-tetra-O-benzoyl-b-D-fructofuranosyl, 2,3,4,6-tetrabenzoate Chemical and Physical Properties
Names and Identifiers
-
- a-D-Glucopyranoside,1,3,4,6-tetra-O-benzoyl-b-D-fructofuranosyl, 2,3,4,6-tetrabenzoate
- a-D-Glucopyranoside, 1,3,4,6-tetra-O-benzoyl-b-D-fructofuranosyl, tetrabenzoate (9CI)
- Monopet SB
- Sucrose,octabenzoate (7CI,8CI)
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- Inchi： 1S/C68H54O19/c69-59(44-25-9-1-10-26-44)77-41-52-54(81-62(72)47-31-15-4-16-32-47)56(83-64(74)49-35-19-6-20-36-49)57(84-65(75)50-37-21-7-22-38-50)67(80-52)87-68(43-79-61(71)46-29-13-3-14-30-46)58(85-66(76)51-39-23-8-24-40-51)55(82-63(73)48-33-17-5-18-34-48)53(86-68)42-78-60(70)45-27-11-2-12-28-45/h1-40,52-58,67H,41-43H2
- InChI Key： AKIVKIDZMLQJCH-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)OCC1C(OC(C2C=CC=CC=2)=O)C(OC(C2C=CC=CC=2)=O)C(OC2C(OC(C3C=CC=CC=3)=O)C(OC(C3C=CC=CC=3)=O)C(OC(C3C=CC=CC=3)=O)C(COC(C3C=CC=CC=3)=O)O2)(COC(C2C=CC=CC=2)=O)O1
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 87
- Rotatable Bond Count: 28
- Complexity: 2290
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 11.5
a-D-Glucopyranoside,1,3,4,6-tetra-O-benzoyl-b-D-fructofuranosyl, 2,3,4,6-tetrabenzoate Related Literature
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1. Photolysis of aromatic azides. Part 4.—Lifetimes of aromatic nitrenes and absolute rates of some of their reactionsA. Reiser,F. W. Willets,G. C. Terry,V. Williams,R. Marley Trans. Faraday Soc. 1968 64 3265
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