(2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol

C14H24O7 — CID 134833392

IUPAC(2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol
SMILESCO[C@H]1O[C@H]([C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)[C@@H](C)[C@H]1O
InChIInChI=1S/C14H24O7/c1-6-7(15)12(16-4)18-8(6)9-10-11(13(17-5)19-9)21-14(2,3)20-10/h6-13,15H,1-5H3/t6-,7+,8-,9+,10+,11+,12-,13+/m0/s1
InChIKeyBHNCVDYHKCYBPY-OBQMPFQASA-N
MW304.34 g/mol
LogP0.25
Rot. Bonds3

About (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol

(2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol (PubChem CID 134833392) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol
PubChem CID134833392
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name(2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol
SMILESCO[C@H]1O[C@H]([C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)[C@@H](C)[C@H]1O
InChIInChI=1S/C14H24O7/c1-6-7(15)12(16-4)18-8(6)9-10-11(13(17-5)19-9)21-14(2,3)20-10/h6-13,15H,1-5H3/t6-,7+,8-,9+,10+,11+,12-,13+/m0/s1
InChIKeyBHNCVDYHKCYBPY-OBQMPFQASA-N
XLogP0.25
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

Communiol D
CID 11298887
(1S)-1-[(3S,3aS,5S,6aS)-3-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol
CID 163072223
(3aR,5R,6R,6aR)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 135055123
3methyl-DAG
CID 11208077
(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
CID 90402120
1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 134833070
[(2S,3aR,6aR)-2-cyclohexyl-3a-hydroxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-5-yl] acetate
CID 10683465
(3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol
CID 10798598
(2S,3aR,6aR)-2-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a,5-diol
CID 10799359
(2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol
CID 10847745
(3aS,6R,6aS)-6-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-3a-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11652206
2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol
CID 14609414

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol?
The IUPAC name of (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol (CID 134833392) is (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol?
The canonical SMILES for (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol is CO[C@H]1O[C@H]([C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)[C@@H](C)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol?
The InChIKey is BHNCVDYHKCYBPY-OBQMPFQASA-N. The full InChI is InChI=1S/C14H24O7/c1-6-7(15)12(16-4)18-8(6)9-10-11(13(17-5)19-9)21-14(2,3)20-10/h6-13,15H,1-5H3/t6-,7+,8-,9+,10+,11+,12-,13+/m0/s1.
What are the key properties of (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol?
(2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol has a molecular weight of 304.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-4-methyloxolan-3-ol is sourced from PubChem (CID 134833392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).