Agelastatin A

Catalog Number	ACM152406285
CAS Number	152406-28-5
Synonyms	(-)-Agelastatin A
Molecular Weight	341.16
InChI	InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1
InChI Key	MPASKXAEPUAMBS-WJOUQXRDSA-N
Melting Point	193 °C
Purity	90%+
Complexity	503
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	340.0171
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isomeric SMILES	CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)C4=CC=C(N34)Br)O
Monoisotopic Mass	340.0171
Rotatable Bond Count	0
Topological Polar Surface Area	86.6 Ų

Custom Q&A

What is the chemical name of Agelastatin A?

Imidazo[4',5':4,5]cyclopenta[1,2-e]pyrrolo[1,2-a]pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-8a-hydroxy-8-methyl-, (5aS,5bS,8aS,9aR)

What are the synonyms of Agelastatin A?

(-)-Agelastatin A, Agelastatin A, ()Agelastatin A, ( ) Agelastatin A

What is the CAS number of Agelastatin A?

152406-28-5

What is the molecular formula of Agelastatin A?

C12H13BrN4O3

What is the molecular weight of Agelastatin A?

341.16

What is the melting point of Agelastatin A?

193 °C (decomp)

What is the predicted boiling point of Agelastatin A?

760.7±60.0 °C

What is the predicted density of Agelastatin A?

2.24±0.1 g/cm3

What is the predicted pKa of Agelastatin A?

12.13±0.40

What are some potential applications of Agelastatin A based on its chemical properties?

The chemical properties of Agelastatin A suggest that it may have biological activities or pharmaceutical applications due to its structure and predicted pKa.

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