(3aR,7aS)-2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxycarbonyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-7a-carboxylic acid

Name: (3aR,7aS)-2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxycarbonyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-7a-carboxylic acid
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CAS No. 1217630-99-3
Cat. No. CS-0037429
Purity≥97%
MDL No.None

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(3aR,7aS)-2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxycarbonyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-7a-carboxylic acid|CS-0037429

Structure of 1217630-99-3

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General Information

CAS No. 1217630-99-3
Cat. No. CS-0037429
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₁H₂₈N₂O₆
Molecular Weight 404.46
Synonym(s) (3aR,7aS)-5-((Benzyloxy)carbonyl)-2-(tert-butoxycarbonyl)octahydro-1H-pyrrolo[3,4-c]pyridine-7a-carboxylic acid
SMILES CC(C)(C)OC(=O)N1C[C@H]2CN(CC[C@]2(C1)C(=O)O)C(=O)OCC3=CC=CC=C3

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 96.38
LogP 2.9668
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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(3aR,7aS)-2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxycarbonyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-7a-carboxylic acid

CAS No. 1217630-99-3

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