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Eldecalcitol Impurity 15

CAT: 1299-RM-E120415-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E120415-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200636-50-6
Synonyms
(((1R,2R,3R, Z) -2- (3- ((tert-butyldimethylsilyl) oxy) propoxy) -5- (2-chloroethylidene) -4-methylenecyclohexane-1,3-diyl) bis (oxy) ) bis (tert-butyldimethylsilane)
Molecular Formula
C30H61ClO4Si3
Molecular Weight
605.52
Target Alternative Name
Eldecalcitol
Product Name Synonym
(((1R,2R,3R, Z) -2- (3- ((tert-butyldimethylsilyl) oxy) propoxy) -5- (2-chloroethylidene) -4-methylenecyclohexane-1,3-diyl) bis (oxy) ) bis (tert-butyldimethylsilane)

Chemical Information

(((1R,2R,3R,Z)-2-(3-((tert-Butyldimethylsilyl)oxy)propoxy)-5-(2-chloroethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane)
CAS Number200636-50-6
PubChem CID170904007
IUPAC Name3-[(1R,2R,4Z,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxypropoxy-tert-butyl-dimethylsilane
Molecular FormulaC30H61ClO4Si3
Molecular Weight605.5
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count38
Formal Charge0
Complexity817
SMILES
CC(C)(C)[Si](C)(C)OCCCO[C@@H]1[C@@H](C/C(=C/CCl)/C(=C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H61ClO4Si3/c1-23-24(18-19-31)22-25(34-37(13,14)29(5,6)7)27(26(23)35-38(15,16)30(8,9)10)32-20-17-21-33-36(11,12)28(2,3)4/h18,25-27H,1,17,19-22H2,2-16H3/b24-18-/t25-,26-,27-/m1/s1
InChIKey
FQTRDLMOXZGSSO-JZEAMISTSA-N
Chemical Structure
2D Structure
2D structure of (((1R,2R,3R,Z)-2-(3-((tert-Butyldimethylsilyl)oxy)propoxy)-5-(2-chloroethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane)
CAS: 200636-50-6
CID: 170904007
Formula: C30H61ClO4Si3
MW: 605.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass604.3566177
Monoisotopic Mass604.3566177
Topological Polar Surface Area36.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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