Axillaridine A

Catalog Number	ACM128255163
CAS Number	128255-16-3
Molecular Weight	462.7
InChI	InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1
InChI Key	ZMAOKPMWBVUQPK-IWDJEAQTSA-N
Purity	95%+
Complexity	843
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Exact Mass	462.324628587
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC=C(C4=O)NC(=O)C5=CC=CC=C5)C)C)N(C)C
Monoisotopic Mass	462.324628587
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	49.4 Ų

Custom Q&A

What is the chemical formula of Axillaridine A?

The chemical formula of Axillaridine A is C30H42N2O2.

What is the molar mass of Axillaridine A?

The molar mass of Axillaridine A is 462.68 g/mol.

What is the CAS number for Axillaridine A?

The CAS number for Axillaridine A is 128255-16-3.

What are some synonyms for Axillaridine A?

Some synonyms for Axillaridine A include: Benzamide, N-[(5a,20S)-20-(dimethylamino)-4-oxopregn-2-en-3-yl]-; Benzamide, N-[(5α,20S)-20-(dimethylamino)-4-oxopregn-2-en-3-yl]-.

What is the predicted boiling point of Axillaridine A?

The predicted boiling point of Axillaridine A is 611.4±47.0 °C.

What is the predicted density of Axillaridine A?

The predicted density of Axillaridine A is 1.12±0.1 g/cm3.

What is the predicted pka value of Axillaridine A?

The predicted pka value of Axillaridine A is 11.27±0.70.

What are the predicted chemical properties of Axillaridine A?

The predicted chemical properties of Axillaridine A include a boiling point of 611.4±47.0 °C, a density of 1.12±0.1 g/cm3, and a pka value of 11.27±0.70.

How is Axillaridine A classified based on its chemical properties?

Axillaridine A is classified as a chemical compound with a molecular formula of C30H42N2O2 and a molar mass of 462.68 g/mol.

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