(2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol

C17H26O8 — CID 11068300

IUPAC(2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol
SMILESCO[C@@H]1C=C[C@@H](O)[C@@]2(O1)[C@@H]([C@@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C17H26O8/c1-15(2)20-8-9(22-15)12-17(10(18)6-7-11(19-5)23-17)13-14(21-12)25-16(3,4)24-13/h6-7,9-14,18H,8H2,1-5H3/t9-,10+,11-,12+,13-,14+,17+/m0/s1
InChIKeyRSVDHSUUWSEXFS-ZEUAXSQRSA-N
MW358.39 g/mol
LogP0.67
Rot. Bonds2

About (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol

(2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol (PubChem CID 11068300) has the molecular formula C17H26O8 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol.

Molecular Properties

Compound Name(2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol
PubChem CID11068300
Molecular FormulaC17H26O8
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name(2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol
SMILESCO[C@@H]1C=C[C@@H](O)[C@@]2(O1)[C@@H]([C@@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C17H26O8/c1-15(2)20-8-9(22-15)12-17(10(18)6-7-11(19-5)23-17)13-14(21-12)25-16(3,4)24-13/h6-7,9-14,18H,8H2,1-5H3/t9-,10+,11-,12+,13-,14+,17+/m0/s1
InChIKeyRSVDHSUUWSEXFS-ZEUAXSQRSA-N
XLogP0.67
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol?
The IUPAC name of (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol (CID 11068300) is (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol.
What is the SMILES notation for (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol?
The canonical SMILES for (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol is CO[C@@H]1C=C[C@@H](O)[C@@]2(O1)[C@@H]([C@@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol?
The InChIKey is RSVDHSUUWSEXFS-ZEUAXSQRSA-N. The full InChI is InChI=1S/C17H26O8/c1-15(2)20-8-9(22-15)12-17(10(18)6-7-11(19-5)23-17)13-14(21-12)25-16(3,4)24-13/h6-7,9-14,18H,8H2,1-5H3/t9-,10+,11-,12+,13-,14+,17+/m0/s1.
What are the key properties of (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol?
(2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol has a molecular weight of 358.39 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol is sourced from PubChem (CID 11068300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).