(Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium

C18H29N2O9+ — CID 11811776

IUPAC(Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium
SMILESCCO/C(O)=C(\[N+]#N)[C@@H](O)[C@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H28N2O9/c1-7-24-16(23)11(20-19)12(22)14-15(29-18(5,6)28-14)13(26-9(2)21)10-8-25-17(3,4)27-10/h10,12-15,22H,7-8H2,1-6H3/p+1/b16-11-/t10-,12-,13-,14-,15+/m1/s1
InChIKeyBGKBFFVUBJUIRU-WUEWZUKVSA-O
MW417.44 g/mol
LogP1.57
Rot. Bonds7

About (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium

(Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium (PubChem CID 11811776) has the molecular formula C18H29N2O9+ and a molecular weight of 417.44 g/mol. Its IUPAC name is (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium.

Molecular Properties

Compound Name(Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium
PubChem CID11811776
Molecular FormulaC18H29N2O9+
Molecular Weight417.44 g/mol
Exact Mass417.19
IUPAC Name(Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium
SMILESCCO/C(O)=C(\[N+]#N)[C@@H](O)[C@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H28N2O9/c1-7-24-16(23)11(20-19)12(22)14-15(29-18(5,6)28-14)13(26-9(2)21)10-8-25-17(3,4)27-10/h10,12-15,22H,7-8H2,1-6H3/p+1/b16-11-/t10-,12-,13-,14-,15+/m1/s1
InChIKeyBGKBFFVUBJUIRU-WUEWZUKVSA-O
XLogP1.57
TPSA141.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

Analyze (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium?
The IUPAC name of (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium (CID 11811776) is (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium.
What is the SMILES notation for (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium?
The canonical SMILES for (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium is CCO/C(O)=C(\[N+]#N)[C@@H](O)[C@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium?
The InChIKey is BGKBFFVUBJUIRU-WUEWZUKVSA-O. The full InChI is InChI=1S/C18H28N2O9/c1-7-24-16(23)11(20-19)12(22)14-15(29-18(5,6)28-14)13(26-9(2)21)10-8-25-17(3,4)27-10/h10,12-15,22H,7-8H2,1-6H3/p+1/b16-11-/t10-,12-,13-,14-,15+/m1/s1.
What are the key properties of (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium?
(Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium has a molecular weight of 417.44 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium is sourced from PubChem (CID 11811776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).