(Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium

C14H15N2O4+ — CID 135877972

IUPAC(Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium
SMILESN#[N+]/C=C(\O)[C@H]1O[C@@H]1[C@@H]1CCO[C@H](c2ccccc2)O1
InChIInChI=1S/C14H14N2O4/c15-16-8-10(17)12-13(20-12)11-6-7-18-14(19-11)9-4-2-1-3-5-9/h1-5,8,11-14H,6-7H2/p+1/b10-8-/t11-,12+,13+,14-/m0/s1
InChIKeyDIISRRAIGYXMCO-JRFSATCNSA-O
MW275.28 g/mol
LogP2.51
Rot. Bonds3

About (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium

(Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium (PubChem CID 135877972) has the molecular formula C14H15N2O4+ and a molecular weight of 275.28 g/mol. Its IUPAC name is (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium.

Molecular Properties

Compound Name(Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium
PubChem CID135877972
Molecular FormulaC14H15N2O4+
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium
SMILESN#[N+]/C=C(\O)[C@H]1O[C@@H]1[C@@H]1CCO[C@H](c2ccccc2)O1
InChIInChI=1S/C14H14N2O4/c15-16-8-10(17)12-13(20-12)11-6-7-18-14(19-11)9-4-2-1-3-5-9/h1-5,8,11-14H,6-7H2/p+1/b10-8-/t11-,12+,13+,14-/m0/s1
InChIKeyDIISRRAIGYXMCO-JRFSATCNSA-O
XLogP2.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101092394
(1R,5R,7R)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101092393
(7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101141161
(4S)-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 15673073
(Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium
CID 11780485
(2R,4aR,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 143765691
2-[(4S,4aR,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2-oxoacetic acid
CID 70564388
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium?
The IUPAC name of (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium (CID 135877972) is (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium.
What is the SMILES notation for (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium?
The canonical SMILES for (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium is N#[N+]/C=C(\O)[C@H]1O[C@@H]1[C@@H]1CCO[C@H](c2ccccc2)O1.
What is the InChIKey of (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium?
The InChIKey is DIISRRAIGYXMCO-JRFSATCNSA-O. The full InChI is InChI=1S/C14H14N2O4/c15-16-8-10(17)12-13(20-12)11-6-7-18-14(19-11)9-4-2-1-3-5-9/h1-5,8,11-14H,6-7H2/p+1/b10-8-/t11-,12+,13+,14-/m0/s1.
What are the key properties of (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium?
(Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium has a molecular weight of 275.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium is sourced from PubChem (CID 135877972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).