Molecule

coronarian

AlkaPlorer ID: AK325416

Synonym: None

IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate

SMILES: O=C(CC[N+](=O)[O-])OC[C@H]1O[C@H](O)[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](O)[C@@H]1O

InChI: InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(12(19)25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1

InChIKey: VDUXCWJUZIOGJA-JPXBYFMYSA-N

PubChem CID: 441560

CAS: 63505-68-0

LOTUS: LTS0144732

SuperNatural Ⅲ: SN0387648-02

NPASS: NPC92047

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Asclepias curassavica	Asclepias	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leptodontidium elatius	Leptodontidium	Leptodontidiaceae	Helotiales	Leotiomycetes	Ascomycota	Fungi	Eukaryota
Aniba canelilla	Aniba	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Astragalus flexuosus	Astragalus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Comptonia peregrina	Comptonia	Myricaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Methylomonas methanica	Methylomonas	Methylococcaceae	Methylococcales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Astragalus falcatus	Astragalus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Astragalus cibarius	Astragalus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 382.2780000000001

TPSA？: 208.8

MolLogP？: -2.7859999999999974

Number of H-Donors: 3

Number of H-Acceptors: 12

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi