(2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol

C15H26O7 — CID 11758949

IUPAC(2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CC[C@@H]2C[C@H]3OC(C)(C)O[C@H]3O2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C15H26O7/c1-15(2)21-12-6-8(19-14(12)22-15)4-5-11-9(16)7-10(17)13(18-3)20-11/h8-14,16-17H,4-7H2,1-3H3/t8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyHIVHIJQMEAHCOJ-JANNVIMPSA-N
MW318.37 g/mol
LogP0.52
Rot. Bonds4

About (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol

(2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol (PubChem CID 11758949) has the molecular formula C15H26O7 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol
PubChem CID11758949
Molecular FormulaC15H26O7
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name(2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CC[C@@H]2C[C@H]3OC(C)(C)O[C@H]3O2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C15H26O7/c1-15(2)21-12-6-8(19-14(12)22-15)4-5-11-9(16)7-10(17)13(18-3)20-11/h8-14,16-17H,4-7H2,1-3H3/t8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyHIVHIJQMEAHCOJ-JANNVIMPSA-N
XLogP0.52
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol with MolForge

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Related Compounds

3-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propanal
CID 130313443
ethyl 3-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propanoate
CID 25141891
[(3aS,5S,6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 90339201
bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane
CID 159168885
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267
2-[(4R,7aS)-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]acetonitrile
CID 58253138
(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
CID 130765029
(3aR,5S,6aR)-5-butyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;3-[(2S,3R,5S)-5-butyl-3-hydroxyoxolan-2-yl]prop-1-enyl acetate;1-trimethylsilylprop-2-enyl acetate
CID 158954035
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
2,2-dimethyl-5-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;2-methylpropane;phenylmethanol
CID 142827459
(3aR,8R)-7-(hydroxymethyl)-5-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepine-4,8-diol
CID 71171830

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol?
The IUPAC name of (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol (CID 11758949) is (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol?
The canonical SMILES for (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol is CO[C@@H]1O[C@H](CC[C@@H]2C[C@H]3OC(C)(C)O[C@H]3O2)[C@H](O)C[C@@H]1O.
What is the InChIKey of (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol?
The InChIKey is HIVHIJQMEAHCOJ-JANNVIMPSA-N. The full InChI is InChI=1S/C15H26O7/c1-15(2)21-12-6-8(19-14(12)22-15)4-5-11-9(16)7-10(17)13(18-3)20-11/h8-14,16-17H,4-7H2,1-3H3/t8-,9-,10+,11-,12-,13-,14-/m1/s1.
What are the key properties of (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol?
(2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol has a molecular weight of 318.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol is sourced from PubChem (CID 11758949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).