Pachysamine M

Catalog Number	ACM1253202753
CAS Number	1253202-75-3
Molecular Weight	440.7
InChI	InChI=1S/C28H44N2O2/c1-17(2)16-25(31)29-24-13-15-28(5)22-12-14-27(4)20(18(3)30(6)7)10-11-21(27)19(22)8-9-23(28)26(24)32/h13,16,18-23H,8-12,14-15H2,1-7H3,(H,29,31)/t18-,19-,20+,21-,22-,23-,27+,28+/m0/s1
InChI Key	FPBGDMGTAHIUMI-ULXDPTIJSA-N
Purity	95%+
Complexity	838
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Exact Mass	440.34027865
Heavy Atom Count	32
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)C=C(C)C)C)C)N(C)C
Monoisotopic Mass	440.34027865
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	49.4 Ų

Custom Q&A

What is the chemical name of Pachysamine M?

The chemical name of Pachysamine M is 2-Butenamide, N-[(5α,20S)-20-(dimethylamino)-4-oxopregn-2-en-3-yl]-3-methyl-.

What is the CAS number of Pachysamine M?

The CAS number of Pachysamine M is 1253202-75-3.

What is the molecular formula of Pachysamine M?

The molecular formula of Pachysamine M is C28H44N2O2.

What is the molecular weight of Pachysamine M?

The molecular weight of Pachysamine M is 440.66116.

What is the predicted boiling point of Pachysamine M?

The predicted boiling point of Pachysamine M is 582.6±42.0 °C.

What is the predicted density of Pachysamine M?

The predicted density of Pachysamine M is 1.07±0.1 g/cm3.

What is the predicted pKa value of Pachysamine M?

The predicted pKa value of Pachysamine M is 12.14±0.70.

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