Neolinustatin

Catalog Number	ACM72229426-2
CAS Number	72229-42-6
IUPAC Name	(2R)-2-Methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutanenitrile
Molecular Weight	423.41
Molecular Formula	C17H29NO11
Canonical SMILES	CCC(C)(C#N)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O
InChI	InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-/m1/s1
InChI Key	WOSYVGNDRYBQCQ-BARGLTKPSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	585
Exact Mass	423.17406074
Heavy Atom Count	29
Isomeric SMILES	CC[C@](C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
Monoisotopic Mass	423.17406074
Topological Polar Surface Area	202Ų

Custom Q&A

What is the chemical formula for Neolinustatin?

The chemical formula for Neolinustatin is C17H29NO11.

What is the molecular weight of Neolinustatin?

The molecular weight of Neolinustatin is 423.42.

What is the melting point of Neolinustatin?

The melting point of Neolinustatin is 190-192°C.

What is the boiling point of Neolinustatin?

The predicted boiling point of Neolinustatin is 705.6±60.0 °C.

What is the density of Neolinustatin?

The predicted density of Neolinustatin is 1.52±0.1 g/cm3.

What is the pKa value of Neolinustatin?

The predicted pKa value of Neolinustatin is 12.70±0.70.

How is Neolinustatin defined in ChEBI?

Neolinustatin is defined as a cyanogenic glycoside in ChEBI.

What are some synonyms for Neolinustatin?

Some synonyms for Neolinustatin are Neolinistatin and (2R)-2-(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutanenitrile.

What is the CAS number for Neolinustatin?

The CAS number for Neolinustatin is 72229-42-6.

What is the structure of Neolinustatin?

The structure of Neolinustatin is described as (2R)-2-(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutanenitrile.

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