1-Hydroxymethyl-beta-carboline glucoside

Catalog Number	ACM1408311125
CAS Number	1408311-12-5
Synonyms	1-Hydroxymethyl-β-carboline glucoside
IUPAC Name	2-(hydroxymethyl)-6-(9H-pyrido[3,4-b]indol-1-ylmethoxy)oxane-3,4,5-triol
Molecular Weight	360.36
Molecular Formula	C18H20N2O6
Canonical SMILES	C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)COC4C(C(C(C(O4)CO)O)O)O
InChI	InChI=1S/C18H20N2O6/c21-7-13-15(22)16(23)17(24)18(26-13)25-8-12-14-10(5-6-19-12)9-3-1-2-4-11(9)20-14/h1-6,13,15-18,20-24H,7-8H2
InChI Key	UBEWCGDGCYXTEA-UHFFFAOYSA-N
Purity	98%
Appearance	Solid
Complexity	483
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	360.13213636
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Monoisotopic Mass	360.13213636
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	128 Ų

Custom Q&A

What is the chemical name of the compound with CAS number 1408311-12-5?

The chemical name is 1-Hydroxymethyl-beta-carboline glucoside.

What are some synonyms for 1-Hydroxymethyl-beta-carboline glucoside?

1-Hydroxymethyl-β-carboline glucoside, 1-Hydroxymethyl-β-carbolineglucoside, and β-D-Glucopyranoside, 9H-pyrido[3,4-b]indol-1-ylmethyl.

What is the molecular formula of 1-Hydroxymethyl-beta-carboline glucoside?

The molecular formula is C18H20N2O6.

What is the molecular weight of 1-Hydroxymethyl-beta-carboline glucoside?

The molecular weight is 360.3612.

What is the predicted boiling point of 1-Hydroxymethyl-beta-carboline glucoside?

The predicted boiling point is 676.1±55.0 °C.

What is the predicted density of 1-Hydroxymethyl-beta-carboline glucoside?

The predicted density is 1.56±0.1 g/cm3.

What is the predicted pka value of 1-Hydroxymethyl-beta-carboline glucoside?

The predicted pka value is 12.86±0.70.

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