[1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol

C12H19N3O5 — CID 15276803

IUPAC[1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol
SMILESCO[C@@H]1O[C@H](Cn2cc(CO)nn2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C12H19N3O5/c1-12(2)19-9-8(18-11(17-3)10(9)20-12)5-15-4-7(6-16)13-14-15/h4,8-11,16H,5-6H2,1-3H3/t8-,9-,10-,11-/m1/s1
InChIKeyLJAYNJNPNDGLTQ-GWOFURMSSA-N
MW285.30 g/mol
LogP-0.34
Rot. Bonds4

About [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol

[1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol (PubChem CID 15276803) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol
PubChem CID15276803
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name[1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol
SMILESCO[C@@H]1O[C@H](Cn2cc(CO)nn2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C12H19N3O5/c1-12(2)19-9-8(18-11(17-3)10(9)20-12)5-15-4-7(6-16)13-14-15/h4,8-11,16H,5-6H2,1-3H3/t8-,9-,10-,11-/m1/s1
InChIKeyLJAYNJNPNDGLTQ-GWOFURMSSA-N
XLogP-0.34
TPSA87.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol (CID 15276803) is [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol is CO[C@@H]1O[C@H](Cn2cc(CO)nn2)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol?
The InChIKey is LJAYNJNPNDGLTQ-GWOFURMSSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-12(2)19-9-8(18-11(17-3)10(9)20-12)5-15-4-7(6-16)13-14-15/h4,8-11,16H,5-6H2,1-3H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol?
[1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol has a molecular weight of 285.30 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 15276803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).