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

C15H26O8 — CID 11232903

IUPAC(2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol
SMILESCCO[C@H]1O[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC)C[C@H](O)[C@@H]1O
InChIInChI=1S/C15H26O8/c1-5-19-13-9(17)7(16)6-8(20-13)10-11(18-4)12-14(21-10)23-15(2,3)22-12/h7-14,16-17H,5-6H2,1-4H3/t7-,8+,9-,10+,11-,12+,13-,14+/m0/s1
InChIKeyXUNUJXDYSDLFHF-MSQPLLNBSA-N
MW334.37 g/mol
LogP-0.25
Rot. Bonds4

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

(2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol (PubChem CID 11232903) has the molecular formula C15H26O8 and a molecular weight of 334.37 g/mol. Its IUPAC name is (2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol
PubChem CID11232903
Molecular FormulaC15H26O8
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name(2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol
SMILESCCO[C@H]1O[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC)C[C@H](O)[C@@H]1O
InChIInChI=1S/C15H26O8/c1-5-19-13-9(17)7(16)6-8(20-13)10-11(18-4)12-14(21-10)23-15(2,3)22-12/h7-14,16-17H,5-6H2,1-4H3/t7-,8+,9-,10+,11-,12+,13-,14+/m0/s1
InChIKeyXUNUJXDYSDLFHF-MSQPLLNBSA-N
XLogP-0.25
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

[(2R,3R,4S,5R,6R)-2-[(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-4,5-dihydroxy-6-methoxyoxan-3-yl] acetate
CID 102096226
(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 12874883
(3aR,5R,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 12874878
5-[(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxathiolane-2-thione
CID 134917378
(3aR,5S,6S,6aR)-5-(1,3-dioxolan-2-yl)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 131036326
(3aR,5R)-6-(ethoxymethoxy)-2,2-dimethyl-5-(oxiran-2-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 135077590
[(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 90136238
4-[(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3,2-dioxathiolane 2,2-dioxide
CID 15451350
2-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]acetic acid
CID 134892610
(3aR,5R,6S,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(3aR,5R,6S,6aR)-5-(azidomethyl)-6-ethoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 160914165
(3aR,5R,6S,6aS)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11888642
(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
CID 58077746

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol?
The IUPAC name of (2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol (CID 11232903) is (2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol?
The canonical SMILES for (2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol is CCO[C@H]1O[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC)C[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol?
The InChIKey is XUNUJXDYSDLFHF-MSQPLLNBSA-N. The full InChI is InChI=1S/C15H26O8/c1-5-19-13-9(17)7(16)6-8(20-13)10-11(18-4)12-14(21-10)23-15(2,3)22-12/h7-14,16-17H,5-6H2,1-4H3/t7-,8+,9-,10+,11-,12+,13-,14+/m0/s1.
What are the key properties of (2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol?
(2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol has a molecular weight of 334.37 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethoxyoxane-3,4-diol is sourced from PubChem (CID 11232903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).