Isonitrin B

(1R,2R,5R)-2-[(1R)-1-hydroxyethyl]-4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-2-ol

Also Known As: Isonitrin B|6-Oxabicyclo(3.1.0)hex-3-ene-2-methanol, 2-hydroxy-4-isocyano-alpha-methyl-, (1-alpha,2-beta,2(R*),5-alpha)-(-)-|(1R,2R,5R)-2-[(1R)-1-hydroxyethyl]-4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-2-ol|2-(1-Hydroxyethyl)-4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-2-ol|(1R,4R,5R)-4-[(1R)-1-hydroxyethyl]-2-isocyano-6-oxabicyclo[3.1.0]hex-2-en-4-ol|6-Oxabicyclo hex-3-ene-2-methanol,2-hydroxy-4-isocyano-alpha-methyl-,(1-alpha,2-beta,2 - -|rel-(-)-(alphaR,1R,2R,5R)-2-Hydroxy-4-isocyano-alpha-methyl-6-oxabicyclo(3.1.0)hex-3-ene-2-methanol

Molecular Formula	C8H9NO3
Molecular Weight	167.05824 g/mol
LogP	-0.31751
Topological Polar Surface Area	57.35 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	167.05824
Monoisotopic Mass	167.05824
Heavy Atoms	12
Complexity	291.16833

Chemical Identifiers

CAS Number	83058-95-1
SMILES	C[C@H]([C@@]1(C=C([C@@H]2[C@H]1O2)[N+]#[C-])O)O