Punctanecine

Catalog Number	ACM145204917
CAS Number	145204-91-7
Molecular Weight	383.5
InChI	InChI=1S/C20H33NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6,12,14-17,22,25H,7-11H2,1-5H3/b13-6-/t14-,15+,16+,17+,20-/m0/s1
InChI Key	YPKVTWPOGHRQRB-JAWNTELBSA-N
Purity	95%+
Complexity	589
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	383.23078777
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O
Monoisotopic Mass	383.23078777
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	96.3 Ų

Custom Q&A

What is the chemical name of Punctanecine?

The chemical name of Punctanecine is 2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]hexahydro-1H-pyrrolizin-1-yl ester.

What are the synonyms for Punctanecine?

The synonyms for Punctanecine are Punctanecine; [1R-[1α(Z),7α(2S*,3R*),7aα]]- (9CI).

What is the CAS number for Punctanecine?

The CAS number for Punctanecine is 145204-91-7.

What is the molecular formula of Punctanecine?

The molecular formula of Punctanecine is C20H33NO6.

What is the molecular weight of Punctanecine?

The molecular weight of Punctanecine is 383.49.

What is the predicted boiling point of Punctanecine?

The predicted boiling point of Punctanecine is 502.4±33.0 °C.

What is the predicted density of Punctanecine?

The predicted density of Punctanecine is 1.18±0.1 g/cm3.

What is the predicted pka value of Punctanecine?

The predicted pka value of Punctanecine is 12.61±0.29.

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