Anacrotine

Catalog Number	ACM5096491
CAS Number	5096-49-1
Synonyms	6β,12-Dihydroxysenecionan-11,16-dione
Molecular Weight	351.4
InChI	InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1
InChI Key	NPYPUYCITBTPSF-TZCAYXSXSA-N
Purity	95%+
Complexity	642
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	351.16818752
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isomeric SMILES	C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H]([C@@H](C3)O)OC1=O)(C)O)C
Monoisotopic Mass	351.16818752
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	96.3 Ų

Custom Q&A

What is the product name of the chemical being discussed in the reference?

The product name is anacrotine.

What are some synonyms for anacrotine?

Synonyms include SENEClONAN-II, 16-DIONE, 6,12-DIHYDROXY- and 6β,12-Dihydroxysenecionan-11,16-dione.

What is the CAS number of anacrotine?

The CAS number is 5096-49-1.

What is the molecular formula of anacrotine?

The molecular formula is C18H25NO6.

What is the molecular weight of anacrotine?

The molecular weight is 351.39.

What is the melting point of anacrotine?

The melting point is 191-192 °C.

What is the boiling point of anacrotine?

The boiling point is 610.3±55.0 °C (Predicted).

What is the predicted density of anacrotine?

The predicted density is 1.32±0.1 g/cm3.

What is the predicted pka value of anacrotine?

The predicted pka value is 12.77±0.60.

What is the chemical property of anacrotine?

Anacrotine is described as a macrolide.

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