Glabratine

Catalog Number	ACM142750478
CAS Number	142750-47-8
IUPAC Name	Methyl (2S,12bS)-2-[(2R)-1-hydroxybut-3-en-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Molecular Weight	530.57
Molecular Formula	C27H34N2O9
Canonical SMILES	COC(=O)C1=CN2CCC3=C(C2CC1C(CO)C=C)NC4=C3C(=CC=C4)OC5C(C(C(C(O5)CO)O)O)O
InChI	InChI=1S/C27H34N2O9/c1-3-13(11-30)15-9-18-22-14(7-8-29(18)10-16(15)26(35)36-2)21-17(28-22)5-4-6-19(21)37-27-25(34)24(33)23(32)20(12-31)38-27/h3-6,10,13,15,18,20,23-25,27-28,30-34H,1,7-9,11-12H2,2H3/t13-,15-,18-,20+,23+,24-,25+,27+/m0/s1
InChI Key	USUGTFYUSIJKAR-OJIXHNPSSA-N
Purity	98%+
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	902
Exact Mass	530.22643067
Heavy Atom Count	38
Isomeric SMILES	COC(=O)C1=CN2CCC3=C([C@@H]2C[C@H]1[C@H](CO)C=C)NC4=C3C(=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Monoisotopic Mass	530.22643067
Topological Polar Surface Area	165Ų

Custom Q&A

What is the chemical formula of Glabratine?

The chemical formula of Glabratine is C27H34N2O9.

What is the molecular weight of Glabratine?

The molecular weight of Glabratine is 530.57.

What is the CAS number for Glabratine?

The CAS number for Glabratine is 142750-47-8.

What is the melting point of Glabratine?

The melting point of Glabratine is 265-267 °C.

In what solvent is the melting point of Glabratine measured?

The melting point of Glabratine is measured in methanol.

What is the predicted boiling point of Glabratine?

The predicted boiling point of Glabratine is 799.9±60.0 °C.

What is the predicted density of Glabratine?

The predicted density of Glabratine is 1.48±0.1 g/cm3.

What is the pka value of Glabratine?

The pka value of Glabratine is 12.88±0.70.

What is the synonym for Glabratine?

The synonym for Glabratine is Indolo[2,3-a]quinolizine-3-carboxylic acid, 8-(β-D-glucopyranosyloxy)-1,2,6,7,12,12b-hexahydro-2-[(1R)-1-(hydroxymethyl)-2-propen-1-yl]-, methyl ester, (2S,12bS)-.

Is Glabratine a solid or a liquid at room temperature?

Glabratine is a solid at room temperature, with a melting point of 265-267 °C.

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