Name: Name:Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[[5-aMino-6-chloro-2-(propylthio)-4-pyriMidinyl]aMino]tetrahydro-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-
Brand: Angene
SKU: AG00C6FB
Rating: 90 (10 reviews)

Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[[5-aMino-6-chloro-2-(propylthio)-4-pyriMidinyl]aMino]tetrahydro-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-

CAS No.:

376608-74-1

Catalog Number:

AG00C6FB

Molecular Formula:

C17H27ClN4O4S

Molecular Weight:

418.9387

Catalog Number:

AG00C6FB

Chemical Name:

Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[[5-aMino-6-chloro-2-(propylthio)-4-pyriMidinyl]aMino]tetrahydro-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-

CAS Number:

376608-74-1

Molecular Formula:

C17H27ClN4O4S

Molecular Weight:

418.9387

MDL Number:

MFCD21362979

IUPAC Name:

2-[[(3aR,4S,6R,6aS)-6-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol

InChI:

InChI=1S/C17H27ClN4O4S/c1-4-7-27-16-21-14(18)11(19)15(22-16)20-9-8-10(24-6-5-23)13-12(9)25-17(2,3)26-13/h9-10,12-13,23H,4-8,19H2,1-3H3,(H,20,21,22)/t9-,10+,12+,13-/m1/s1

InChI Key:

LODREYVWDWCAOB-RSLMWUCJSA-N

SMILES:

CCCSc1nc(N[C@@H]2C[C@@H]([C@@H]3[C@H]2OC(O3)(C)C)OCCO)c(c(n1)Cl)N

EC Number:

468-100-0

Complexity:

492

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

418.144g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

418.937g/mol

Monoisotopic Mass:

418.144g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

137A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3