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Sofosbuvir impurity M

CAT: 0926-VID55110Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-VID55110Size:1 mg
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CAS Number
2095551-10-1
MDL Number
MFCD28387167
Smiles
CC (C) OC (=O) C (C) NP (=O) (OCC1C (C (C (O1) N2C=CC (=O) NC2=O) (C) O) O) OC3=CC=CC=C3
Molecular Formula
C22H30N3O10P
Molecular Weight
527.5 g/mol
Controlled
No

Chemical Information

CID 130337055
CAS Number2095551-10-1
PubChem CID130337055
IUPAC Namepropan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular FormulaC22H30N3O10P
Molecular Weight527.5
XLogP0
Topological Polar Surface Area173
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity909
SMILES
C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)O)O)OC3=CC=CC=C3
InChI
InChI=1S/C22H30N3O10P/c1-13(2)33-19(28)14(3)24-36(31,35-15-8-6-5-7-9-15)32-12-16-18(27)22(4,30)20(34-16)25-11-10-17(26)23-21(25)29/h5-11,13-14,16,18,20,27,30H,12H2,1-4H3,(H,24,31)(H,23,26,29)/t14-,16+,18+,20+,22-,36?/m0/s1
InChIKey
WAKQLZVLNOKKHE-YMGVOGLASA-N
Chemical Structure
2D Structure
2D structure of CID 130337055
CAS: 2095551-10-1
CID: 130337055
Formula: C22H30N3O10P
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass527.16688116
Monoisotopic Mass527.16688116
Topological Polar Surface Area173 Ų
Heavy Atom Count36
Formal Charge0
Complexity909
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-S060256-01Sofosbuvir Impurity 32; Sofosbuvir Impurity B
RM-S060226-01Sofosbuvir Impurity 2; Sofosbuvir Impurity V
T12956-01Sofosbuvir impurity A
AR-S09358-01Sofosbuvir Impurity
AR-S01685-01Sofosbuvir Impurity 37 (Sofosbuvir Isomer)
HY-59121B-01Sofosbuvir impurity 1
HY-I0938-01Sofosbuvir impurity H
HY-I0515-01Sofosbuvir impurity K
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