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Succinyl-a-cyclodextrin

CAT: 0926-OS34950-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-OS34950-01Size:250 mg
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CAS Number
742694-89-9
Synonyms
SuACD
MDL Number
MFCD03453011
Smiles
O=C (O) CCC (=O) OC[C@H]5O[C@@H]4O[C@H]1[C@H] (O) [C@@H] (O) [C@H] (O[C@@H]1CO) O[C@H]2[C@H] (O) [C@@H] (O) [C@H] (O[C@@H]2CO) O[C@H]3[C@H] (O) [C@@H] (O) [C@H] (O[C@@H]3CO) O[C@@H]7[C@H] (O[C@H] (O[C@@H]6[C@H] (O[C@H] (O[C@H]5[C@H] (O) [C@H]4O) [C@H] (O) [C@H]6O) CO) [C@H] (O) [C@H]7O) CO
Molecular Formula
C40H64O33
Molecular Weight
1,072.92 g/mol
Controlled
No

Chemical Information

Succinyl-a-cyclodextrin
CAS Number742694-89-9
PubChem CID10328830
IUPAC Name4-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]-4-oxobutanoic acid
Molecular FormulaC40H64O33
Molecular Weight1072.9
XLogP-12.9
Topological Polar Surface Area518
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count33
Rotatable Bond Count11
Heavy Atom Count73
Formal Charge0
Complexity1770
SMILES
C(CC(=O)OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)C(=O)O
InChI
InChI=1S/C40H64O33/c41-3-9-29-17(49)23(55)35(62-9)69-30-10(4-42)64-37(25(57)19(30)51)71-32-12(6-44)66-39(27(59)21(32)53)73-34-14(8-61-16(48)2-1-15(46)47)67-40(28(60)22(34)54)72-33-13(7-45)65-38(26(58)20(33)52)70-31-11(5-43)63-36(68-29)24(56)18(31)50/h9-14,17-45,49-60H,1-8H2,(H,46,47)/t9-,10-,11-,12-,13-,14-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m1/s1
InChIKey
MQYVFTUFHBQDRU-QHEXKRCRSA-N
Chemical Structure
2D Structure
2D structure of Succinyl-a-cyclodextrin
CAS: 742694-89-9
CID: 10328830
Formula: C40H64O33
MW: 1072.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1072.9
XLogP3-12.9
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count33
Rotatable Bond Count11
Exact Mass1072.3329845
Monoisotopic Mass1072.3329845
Topological Polar Surface Area518 Ų
Heavy Atom Count73
Formal Charge0
Complexity1770
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes