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957505-48-5 | (3aR,5R,6S,6aR)-2,2-dimethyl-5-{[(2R)-2-(pyridin-3-yl)pyrrolidin-1-yl]methyl}-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
CAS No: 957505-48-5 Catalog No: AG00JW9J MDL No:MFCD09832530
Product Description
Catalog Number:
AG00JW9J
Chemical Name:
(3aR,5R,6S,6aR)-2,2-dimethyl-5-{[(2R)-2-(pyridin-3-yl)pyrrolidin-1-yl]methyl}-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
CAS Number:
957505-48-5
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
MDL Number:
MFCD09832530
IUPAC Name:
(3aR,5R,6S,6aR)-2,2-dimethyl-5-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
InChI:
InChI=1S/C17H24N2O4/c1-17(2)22-15-14(20)13(21-16(15)23-17)10-19-8-4-6-12(19)11-5-3-7-18-9-11/h3,5,7,9,12-16,20H,4,6,8,10H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1
InChI Key:
CBBQACBMQVEKKG-IBEHDNSVSA-N
SMILES:
O[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)CN1CCC[C@@H]1c1cccnc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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