1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane

2.1.2 InChI

InChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)16-9-10-12-11(8-15-10)17-14(4,5)18-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m1/s1

2.1.3 InChI Key

OJQCXEITXMMYOK-GRYCIOLGSA-N

2.1.4 Canonical SMILES

CC1(OC2CNC(C2O1)CO[Si](C)(C)C(C)(C)C)C

2.1.5 Isomeric SMILES

CC1(O[C@H]2CN[C@@H]([C@H]2O1)CO[Si](C)(C)C(C)(C)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 153172-31-7

2. [(3ar,4r,6as)-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane

3. Schembl4067627

4. Dtxsid201107065

5. Mfcd09833927

6. Zinc196022269

7. Cs-0016281

8. P10778

9. 2-o,3-o-isopropylidene-5-o-(tert-butyldimethylsilyl)-4-o-aza-1-deoxy-d-ribofuranose

10. (3ar,4r,6as)-4-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyltetrahydro-4h-[1,3]dioxolo[4,5-c]pyrrole

11. (3ar,4r,6as)-4-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole

12. (3ar,4r,6as)-4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-2,2-dimethyl-4h-1,3-dioxolo[4,5-c]pyrrole

13. (3ar,4r,6as)-4-{[(t-butyldimethylsilyl)oxy]methyl}-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyrrole

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₉NO₃Si
Molecular Weight	287.47 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	287.19167032 g/mol
Monoisotopic Mass	287.19167032 g/mol
Topological Polar Surface Area	39.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	338
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 153172-31-7