Rosuvastatin impurity 42

CAT: 0926-EGA87792-01Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-EGA87792-01Size:1000 mg

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CAS Number

154877-92-6

Smiles

CC1 (OC (CC (O1) CO) CC (=O) O) C

Molecular Formula

C9H16O5

Molecular Weight

204.22 g/mol

Controlled

Chemical Information

Rosuvastatin impurity 42

CAS Number	154877-92-6
PubChem CID	18642009
IUPAC Name	2-[(4R,6S)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
Molecular Formula	C9H16O5
Molecular Weight	204.22
XLogP	-0.3
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	213

SMILES

CC1(O[C@H](C[C@H](O1)CO)CC(=O)O)C

InChI

InChI=1S/C9H16O5/c1-9(2)13-6(4-8(11)12)3-7(5-10)14-9/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m1/s1

InChIKey

FNKPNKOHCXKXCK-RQJHMYQMSA-N

Chemical Structure

2D Structure

CAS: 154877-92-6

CID: 18642009

Formula: C9H16O5

MW: 204.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.22
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	204.09977361
Monoisotopic Mass	204.09977361
Topological Polar Surface Area	76 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IR165403-01	Rosuvastatin impurity B
IR183440-01	Rosuvastatin impurity E calcium
IR183834-01	Rosuvastatin EP impurity M calcium
IR183844-01	Rosuvastatin EP Impurity C sodium
FF139301-01	Rosuvastatin
FF180144-01	Rosuvastatin EP Impurity K Sodium Salt (2E-isomer)
FR27761-01	Rosuvastatin lactone
FR33470-01	Rosuvastatin sodium
FR27760-01	Rosuvastatin calcium
XXB34898-01	Rosuvastatin isoamy ester

Catalog	Name
JH915026	Rosuvastatin Impurity
RM-R192296-01	Rosuvastatin Impurity 8 (Rosuvastatin EP Impurity N Mix Rosuvastatin EP Impurity K)
RM-R192274-01	Rosuvastatin Impurity 74 (Rosuvastatin D-5 Enatiomer Impurity)
RM-R192312-01	Rosuvastatin Impurity 112
RM-R192309-01	Rosuvastatin Impurity 109
RM-R192377-01	Rosuvastatin Impurity 177
RM-R192372-01	Rosuvastatin Impurity 172
RM-R192303-01	Rosuvastatin Impurity 103
RM-R192300-01	Rosuvastatin Impurity 100
RM-R192414-01	Rosuvastatin Impurity 214