Sinococuline

Catalog Number	ACM109351362
CAS Number	109351-36-2
Structure
Synonyms	(9α,13α)-8,14-Didehydro-3,8-dimethoxymorphinan-4,6β,7β-triol
Molecular Weight	333.4
InChI	InChI=1S/C18H23NO5/c1-23-12-4-3-9-7-10-14-17(24-2)15(21)11(20)8-18(14,5-6-19-10)13(9)16(12)22/h3-4,10-11,15,19-22H,5-8H2,1-2H3/t10-,11-,15-,18-/m0/s1
InChI Key	MFKPWBJXKCSPGK-KNORBDTNSA-N
Purity	95%+
Complexity	538
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	333.15762283
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	COC1=C(C2=C(C[C@H]3C4=C([C@H]([C@H](C[C@]42CCN3)O)O)OC)C=C1)O
Monoisotopic Mass	333.15762283
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	91.2 Ų

Custom Q&A

What is the product name of the chemical compound with the CAS number 109351-36-2?

The product name is sinococuline.

What are some synonyms for sinococuline?

Some synonyms for sinococuline are (9α,13α)-8,14-Didehydro-3,8-dimethoxymorphinan-4,6β,7β-triol and Morphinan-4,6,7-triol, 8,14-didehydro-3,8-dimethoxy-, (6β,7β,9α,13α)-.

What is the chemical formula for sinococuline?

The chemical formula for sinococuline is C18H23NO5.

What is the molecular weight of sinococuline?

The molecular weight of sinococuline is 333.38.

What is the predicted boiling point of sinococuline?

The predicted boiling point is 562.7±50.0 °C.

What is the predicted density of sinococuline?

The predicted density is 1.41±0.1 g/cm3.

What is the predicted pka value of sinococuline?

The predicted pka value is 9.90±0.70.

How many carbon (C) atoms are present in the molecular formula of sinococuline?

There are 18 carbon atoms in the molecular formula.

What is the predicted molecular weight of sinococuline?

The predicted molecular weight is 333.38.

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