Glucodichotomine B

Catalog Number	ACM845673167
CAS Number	845673-16-7
IUPAC Name	1-[(1R)-2-Hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
Molecular Weight	434.40
Molecular Formula	C20H22N2O9
Canonical SMILES	C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C(CO)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O
InChI	InChI=1S/C20H22N2O9/c23-6-12(30-20-18(27)17(26)16(25)13(7-24)31-20)15-14-9(5-11(22-15)19(28)29)8-3-1-2-4-10(8)21-14/h1-5,12-13,16-18,20-21,23-27H,6-7H2,(H,28,29)/t12-,13+,16+,17-,18+,20+/m0/s1
InChI Key	WQKKQBMRVKDLBP-GOPHKZMVSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	640
Exact Mass	434.13253028
Heavy Atom Count	31
Isomeric SMILES	C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)[C@H](CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O
Monoisotopic Mass	434.13253028
Topological Polar Surface Area	186Ų

Custom Q&A

What is the CAS number for Glucodichotomine B?

The CAS number for Glucodichotomine B is 845673-16-7.

What are the synonyms for Glucodichotomine B?

The synonyms for Glucodichotomine B are Glucodichotomine B and 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[(1R)-1-(β-D-glucopyranosyloxy)-2-hydroxyethyl]-.

What is the molecular formula of Glucodichotomine B?

The molecular formula of Glucodichotomine B is C20H22N2O9.

What is the molecular weight of Glucodichotomine B?

The molecular weight of Glucodichotomine B is 434.4.

What is the predicted boiling point of Glucodichotomine B?

The predicted boiling point of Glucodichotomine B is 837.5±65.0 °C.

What is the predicted density of Glucodichotomine B?

The predicted density of Glucodichotomine B is 1.70±0.1 g/cm3.

What is the predicted pKa of Glucodichotomine B?

The predicted pKa of Glucodichotomine B is 1.31±0.30.

How is Glucodichotomine B defined in ChEBI?

Glucodichotomine B is defined in ChEBI as a harmala alkaloid with a role as a metabolite.

What is the role of Glucodichotomine B?

The role of Glucodichotomine B is as a metabolite.

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