Molecule

cibarian

AlkaPlorer ID: AK319551

Synonym: None

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

SMILES: O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](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(19)12(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: PUSAAHYGRLPDMQ-JPXBYFMYSA-N

PubChem CID: 100275

CAS: 39797-90-5

LOTUS: LTS0252758

SuperNatural Ⅲ: SN0295686-02

NPASS: NPC269412

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Leptodontidium elatius	Leptodontidium	Leptodontidiaceae	Helotiales	Leotiomycetes	Ascomycota	Fungi	Eukaryota
Aniba canelilla	Aniba	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Comptonia peregrina	Comptonia	Myricaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Methylomonas methanica	Methylomonas	Methylococcaceae	Methylococcales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 382.278

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