CAS 274693-54-8

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Also known as: 274693-54-8, Mfcd22419928, N-[(3as,4r,6s,6ar)-tetrahydro-6-(2-hydroxyethoxy)-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]carbamic acid phenylmethyl ester, Cid 9924588, Benzyl n-[(3ar,4s,6r,6as)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-6-yl]carbamate, Schembl10249654

Molecular Formula

C₁₈H₂₅NO₆

Molecular Weight

351.4 g/mol

InChI Key

OCBUGPAQVZSMFX-FXUDXRNXSA-N

1 2D Structure

CAS 274693-54-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl N-[(3aR,4S,6R,6aS)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate

2.1.2 InChI

InChI=1S/C18H25NO6/c1-18(2)24-15-13(10-14(16(15)25-18)22-9-8-20)19-17(21)23-11-12-6-4-3-5-7-12/h3-7,13-16,20H,8-11H2,1-2H3,(H,19,21)/t13-,14+,15+,16-/m1/s1

2.1.3 InChI Key

OCBUGPAQVZSMFX-FXUDXRNXSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 274693-54-8

2. Mfcd22419928

3. N-[(3as,4r,6s,6ar)-tetrahydro-6-(2-hydroxyethoxy)-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]carbamic Acid Phenylmethyl Ester

4. Cid 9924588

5. Benzyl N-[(3ar,4s,6r,6as)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-6-yl]carbamate

6. Schembl10249654

7. Dtxsid701106755

8. Cs-m2434

9. Akos030632713

10. Ds-19240

11. Sy317706

12. 1423768-24-4

13. 2-[[(3ar,4s,6r,6as)-6-(cbz-amino)-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol

14. Benzyl ((3as,4r,6s,6ar)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-4h-cyclopenta[d][1,3]dioxol-4-yl)carbamate

15. Phenylmethyl N-[(3as,4r,6s,6ar)-tetrahydro-6-(2-hydroxyethoxy)-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]carbamate

16. Rel-benzyl ((3as,4r,6s,6ar)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-4h-cyclopenta[d][1,3]dioxol-4-yl)carbamate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₅NO₆
Molecular Weight	351.4 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	86.3
Heavy Atom Count	25
Formal Charge	0
Complexity	451
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1