3'-Hydroxydehydroaglaiastatin

Catalog Number	ACM259143583
CAS Number	259143-58-3
Molecular Weight	540.6
InChI	InChI=1S/C31H28N2O7/c1-37-19-15-22(39-3)27-23(16-19)40-31(18-11-12-21(38-2)20(34)14-18)26(17-8-5-4-6-9-17)25-28(30(27,31)36)32-24-10-7-13-33(24)29(25)35/h4-6,8-9,11-12,14-16,26,34,36H,7,10,13H2,1-3H3/t26-,30+,31+/m1/s1
InChI Key	AUJMBFPBXOTPLC-JZRGNDHQSA-N
Purity	95%+
Complexity	1090
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	540.18965124
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isomeric SMILES	COC1=C(C=C(C=C1)[C@]23[C@@H](C4=C([C@]2(C5=C(O3)C=C(C=C5OC)OC)O)N=C6CCCN6C4=O)C7=CC=CC=C7)O
Monoisotopic Mass	540.18965124
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	110 Ų

Custom Q&A

What is the chemical name of this compound?

The chemical name of this compound is 5H-Benzofuro[2',3':4,5]cyclopenta[1,2-d]pyrrolo[1,2-a]pyrimidin-5-one, 1,2,3,6,6a,11b-hexahydro-11b-hydroxy-6a-(3-hydroxy-4-methoxyphenyl)-9,11-dimethoxy-6-phenyl-, (6R,6aR,11bS)

What is the CAS number of 3'-Hydroxydehydroaglaiastatin?

The CAS number is 259143-58-3

What is the molecular formula of 3'-Hydroxydehydroaglaiastatin?

The molecular formula is C31H28N2O7

What is the molecular weight of 3'-Hydroxydehydroaglaiastatin?

The molecular weight is 540.56

What is the predicted boiling point of 3'-Hydroxydehydroaglaiastatin?

The predicted boiling point is 719.0±70.0 °C

What is the predicted density of 3'-Hydroxydehydroaglaiastatin?

The predicted density is 1.45±0.1 g/cm3

What is the predicted pka value of 3'-Hydroxydehydroaglaiastatin?

The predicted pka value is 9.81±0.10

What are the synonyms for 3'-Hydroxydehydroaglaiastatin?

The synonyms are 3'-Hydroxydehydroaglaiastatin

What are the stereochemical configurations of 3'-Hydroxydehydroaglaiastatin?

The stereochemical configurations are (6R,6aR,11bS)

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