(2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol

C24H40N6O10 — CID 155549056

IUPAC(2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol
SMILESCCCCn1cc(CO[C@@H]2O[C@H](Cn3cc(COC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)nn3)[C@H]3OC(C)(C)O[C@@H]23)nn1
InChIInChI=1S/C24H40N6O10/c1-4-5-6-29-7-15(26-27-29)12-37-23-22-21(39-24(2,3)40-22)18(38-23)9-30-8-14(25-28-30)11-36-13-17(33)20(35)19(34)16(32)10-31/h7-8,16-23,31-35H,4-6,9-13H2,1-3H3/t16-,17+,18+,19+,20-,21+,22+,23+/m0/s1
InChIKeyNLFZXEAEVJQXIG-MFSZLJEISA-N
MW572.62 g/mol
LogP-1.92
Rot. Bonds16

About (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol

(2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol (PubChem CID 155549056) has the molecular formula C24H40N6O10 and a molecular weight of 572.62 g/mol. Its IUPAC name is (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol
PubChem CID155549056
Molecular FormulaC24H40N6O10
Molecular Weight572.62 g/mol
Exact Mass572.28
IUPAC Name(2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol
SMILESCCCCn1cc(CO[C@@H]2O[C@H](Cn3cc(COC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)nn3)[C@H]3OC(C)(C)O[C@@H]23)nn1
InChIInChI=1S/C24H40N6O10/c1-4-5-6-29-7-15(26-27-29)12-37-23-22-21(39-24(2,3)40-22)18(38-23)9-30-8-14(25-28-30)11-36-13-17(33)20(35)19(34)16(32)10-31/h7-8,16-23,31-35H,4-6,9-13H2,1-3H3/t16-,17+,18+,19+,20-,21+,22+,23+/m0/s1
InChIKeyNLFZXEAEVJQXIG-MFSZLJEISA-N
XLogP-1.92
TPSA208.72 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol 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 (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol (CID 155549056) is (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol is CCCCn1cc(CO[C@@H]2O[C@H](Cn3cc(COC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)nn3)[C@H]3OC(C)(C)O[C@@H]23)nn1.
What is the InChIKey of (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol?
The InChIKey is NLFZXEAEVJQXIG-MFSZLJEISA-N. The full InChI is InChI=1S/C24H40N6O10/c1-4-5-6-29-7-15(26-27-29)12-37-23-22-21(39-24(2,3)40-22)18(38-23)9-30-8-14(25-28-30)11-36-13-17(33)20(35)19(34)16(32)10-31/h7-8,16-23,31-35H,4-6,9-13H2,1-3H3/t16-,17+,18+,19+,20-,21+,22+,23+/m0/s1.
What are the key properties of (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol?
(2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol has a molecular weight of 572.62 g/mol, XLogP of -1.92, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-6-[[1-[[(3aR,4R,6R,6aR)-4-[(1-butyltriazol-4-yl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methoxy]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 155549056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).