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AV18229

1251022-31-7 | Racemic-(3aR,4S,6S,7S,7aS)-5-(tert-butoxycarbonyl)-2,2-dimethylhexahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid

Manufacturer: A2B Chem

CAS Number: 1251022-31-7

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Catalog Number

AV18229

Chemical Name

Racemic-(3aR,4S,6S,7S,7aS)-5-(tert-butoxycarbonyl)-2,2-dimethylhexahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid

Cas Number

1251022-31-7

Molecular Formula

C15H23NO6

Molecular Weight

313.3462

Mdl Number

MFCD22370082

Smiles

O=C(N1[C@@H]2C[C@@H]([C@H]1C(=O)O)[C@H]1[C@@H]2OC(O1)(C)C)OC(C)(C)C

Complexity

511

Covalently-Bonded Unit Count

1

Heavy Atom Count

22

Hydrogen Bond Acceptor Count

6

Hydrogen Bond Donor Count

1

Rotatable Bond Count

3

Undefined Atom Stereocenter Count

5

Xlogp3

1.3

Other Options

Image	Product Name	Manufacturer	Price Range
	(3aR,4R,6S,7S,7aS)-5-(tert-Butoxycarbonyl)-2,2-dimethylhexahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid	ChemScene	₹ 1,00,105.20 - ₹ 1,33,559.16

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A2B Chem

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Catalog Number:

AV18229

Chemical Name:

Racemic-(3aR,4S,6S,7S,7aS)-5-(tert-butoxycarbonyl)-2,2-dimethylhexahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid

Cas Number:

1251022-31-7

Molecular Formula:

C15H23NO6

Molecular Weight:

313.3462

Mdl Number:

MFCD22370082

Smiles:

O=C(N1[C@@H]2C[C@@H]([C@H]1C(=O)O)[C@H]1[C@@H]2OC(O1)(C)C)OC(C)(C)C

Complexity:

511

Covalently-Bonded Unit Count:

1

Heavy Atom Count:

22

Hydrogen Bond Acceptor Count:

6

Hydrogen Bond Donor Count:

1

Rotatable Bond Count:

3

Undefined Atom Stereocenter Count:

5

Xlogp3:

1.3

A2B Chem

--

Catalog Number:

Chemical Name:

Cas Number:

Molecular Formula:

Molecular Weight:

Mdl Number:

Smiles:

COC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C

Complexity:

320

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Xlogp3:

0.7

A2B Chem

--

Catalog Number:

Chemical Name:

Cas Number:

Molecular Formula:

Molecular Weight:

Mdl Number:

Smiles:

COCN(S(=O)(=O)c1ccccc1Br)c1noc(c1C)C

Complexity:

442

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Xlogp3:

2.8

A2B Chem

--

Catalog Number:

Chemical Name:

Cas Number:

Molecular Formula:

Molecular Weight:

Mdl Number:

Smiles:

OCc1ccc(cc1)n1nccn1

Complexity:

151

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Xlogp3:

1