COC1CC(CC1O[N+](=O)[O-])C(=O)O
Nom: (1R,3S,4S)-3-methoxy-4-nitrooxycyclopentane-1-carboxylic acid
SMILES: COC1CC(CC1O[N+](=O)[O-])C(=O)O

Molecular Processing

Molecular formula
C7H11NO6
Molecular weight
205.17
Exact mass
205.0586
XLogP
0.07
TPSA
98.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
43.02

Supplementary Information

InChIKey: JLCFUMIUSZQDSW-SRQIZXRXSA-N
Synonymes
SCHEMBL638068JLCFUMIUSZQDSW-SRQIZXRXSA-N(1R,3S,4S)-3-methoxy-4-(nitrooxy)cyclopentane carboxylic acid(1R,3S,4S)-3-methoxy-4-(nitrooxy)cyclopentanecarboxylic acid
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→