Maxacalcitol Impurity 9

CAT: 1596-AR-M03926-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03926-02Size:25 Units

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CAS Number

81506-24-3

Molecular Formula

C21H42O3Si2

Molecular Weight

398.73

API Name

Maxacalcitol

Chemical Information

(Z)-2-((3S,5R)-3,5-bis((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethanol

CAS Number	81506-24-3
PubChem CID	10179011
IUPAC Name	(2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
Molecular Formula	C21H42O3Si2
Molecular Weight	398.7
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	536

SMILES

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](C(=C)/C(=C\CO)/C1)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C21H42O3Si2/c1-16-17(12-13-22)14-18(23-25(8,9)20(2,3)4)15-19(16)24-26(10,11)21(5,6)7/h12,18-19,22H,1,13-15H2,2-11H3/b17-12-/t18-,19+/m1/s1

InChIKey

APRWHRXRPYRYKF-AIZSWXQMSA-N

Chemical Structure

2D Structure

CAS: 81506-24-3

CID: 10179011

Formula: C21H42O3Si2

MW: 398.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	398.26724827
Monoisotopic Mass	398.26724827
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	536
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M03921-01	Maxacalcitol Impurity 1
AR-M03922-01	Maxacalcitol Impurity 2
AR-M01107-01	Maxacalcitol Impurity B
AR-M03923-01	Maxacalcitol Impurity 4
AR-M03924-01	Maxacalcitol Impurity 5
AR-M03925-01	Maxacalcitol Impurity 8
AR-M01106-01	Maxacalcitol 9-Hydroxy Iso Form
AR-M01105-01	Maxacalcitol
AR-M01108-01	Maxacalcitol Preform
AR-M02689-01	1?-Maxacalcitol

Catalog	Name
RM-M448003-01	Maxacalcitol Impurity 3
RM-M448002-01	Maxacalcitol Impurity 2
RM-M448004-01	Maxacalcitol Impurity 4
RM-M448005-01	Maxacalcitol Impurity 5
RM-M448001-01	Maxacalcitol Impurity 1
RM-M448006-01	Maxacalcitol Impurity 6 (22-Oxacalcitriol)
A3584-10	Maxacalcitol
A15153-5	Maxacalcitol 5mg
A15153-1	Maxacalcitol 1mg
T11952-01	Maxacalcitol-D6