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AV18384

158078-04-7 | ((3aR,4R,6R,6aR)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol

Manufacturer: A2B Chem

CAS Number: 158078-04-7

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Catalog Number

AV18384

Chemical Name

((3aR,4R,6R,6aR)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol

Cas Number

158078-04-7

Molecular Formula

C14H16ClN3O4

Molecular Weight

325.7475

Mdl Number

MFCD30187909

Smiles

OC[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1ccc2c1ncnc2Cl

Complexity

440

Covalently-Bonded Unit Count

1

Defined Atom Stereocenter Count

4

Heavy Atom Count

22

Hydrogen Bond Acceptor Count

6

Hydrogen Bond Donor Count

1

Rotatable Bond Count

2

Xlogp3

1

Other Options

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	((3aR,4R,6R,6aR)-6-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol	ChemScene	₹ 21,805.00 - ₹ 97,900.00

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A2B Chem

--

Catalog Number:

AV18384

Chemical Name:

((3aR,4R,6R,6aR)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol

Cas Number:

158078-04-7

Molecular Formula:

C14H16ClN3O4

Molecular Weight:

325.7475

Mdl Number:

MFCD30187909

Smiles:

OC[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1ccc2c1ncnc2Cl

Complexity:

440

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

4

Heavy Atom Count:

22

Hydrogen Bond Acceptor Count:

6

Hydrogen Bond Donor Count:

1

Rotatable Bond Count:

2

Xlogp3:

1

A2B Chem

--

Catalog Number:

Chemical Name:

Cas Number:

Molecular Formula:

Molecular Weight:

Mdl Number:

Smiles:

CC(=O)c1cn(c2c1ccnc2)S(=O)(=O)c1ccccc1

Complexity:

494

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Xlogp3:

1.8

A2B Chem

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Catalog Number:

AV18386

Chemical Name:

1,3-Diazocan-2-one

Cas Number:

5700-13-0

Molecular Formula:

C6H12N2O

Molecular Weight:

128.1723

Mdl Number:

MFCD19216992

Smiles:

O=C1NCCCCCN1

Complexity:

93.2

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

Heavy Atom Count:

9

Hydrogen Bond Acceptor Count:

1

Hydrogen Bond Donor Count:

2

Rotatable Bond Count:

Xlogp3:

0.2

A2B Chem

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Catalog Number:

AV18387

Chemical Name:

(3-Bromo-5-chloropyridin-4-yl)methanol

Cas Number:

1064677-18-4

Molecular Formula:

C6H5BrClNO

Molecular Weight:

222.467

Mdl Number:

MFCD16606989

Smiles:

OCc1c(Cl)cncc1Br

Complexity:

114

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

__

Heavy Atom Count:

10

Hydrogen Bond Acceptor Count:

2

Hydrogen Bond Donor Count:

1

Rotatable Bond Count:

1

Xlogp3:

1.3