(2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

C15H28O5 — CID 132524985

IUPAC(2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESCO[C@H]1O[C@@H]2CC[C@@H](CC(C)C)O[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C15H28O5/c1-9(2)8-10-6-7-11-12(19-10)13(16-3)14(17-4)15(18-5)20-11/h9-15H,6-8H2,1-5H3/t10-,11+,12+,13-,14+,15-/m0/s1
InChIKeyQQDGTFOYDDYHFH-MTWVNVMRSA-N
MW288.38 g/mol
LogP1.98
Rot. Bonds5

About (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

(2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (PubChem CID 132524985) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
PubChem CID132524985
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name(2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESCO[C@H]1O[C@@H]2CC[C@@H](CC(C)C)O[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C15H28O5/c1-9(2)8-10-6-7-11-12(19-10)13(16-3)14(17-4)15(18-5)20-11/h9-15H,6-8H2,1-5H3/t10-,11+,12+,13-,14+,15-/m0/s1
InChIKeyQQDGTFOYDDYHFH-MTWVNVMRSA-N
XLogP1.98
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran with MolForge

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Related Compounds

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CID 44303223
Bhccwedeknezdn-iwdiquijsa-
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(6S,8aS)-8-[(2S,5R)-3-fluoro-4,5-dimethoxy-6-methyloxan-2-yl]oxy-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 53841364
2,4-Diisopropylhexahydropyrano[2,3-d] m-dioxin
CID 225391
(4aR,6R,7R,8S,8aS)-6,7,8-trimethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 11514180
(4aR,6S,7R,8S,8aS)-6,7,8-trimethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 11701424
(4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 101716383
(3s,4As,6as,10ar,10br)-2,2,3,6a-tetramethoxy-dodecahydropyrano[2,3-c]chromene
CID 129758226
(3As,5as,7s,9ar,9br)-3a,7,8,8-tetramethoxy-decahydro-1h-cyclopenta[b]pyrano[3,2-d]pyrane
CID 129758315
(2S,3R,4S,4aS,6R,8S,8aS)-8-chloro-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 132524983
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CID 134858704

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The IUPAC name of (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (CID 132524985) is (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.
What is the SMILES notation for (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The canonical SMILES for (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is CO[C@H]1O[C@@H]2CC[C@@H](CC(C)C)O[C@H]2[C@H](OC)[C@H]1OC.
What is the InChIKey of (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The InChIKey is QQDGTFOYDDYHFH-MTWVNVMRSA-N. The full InChI is InChI=1S/C15H28O5/c1-9(2)8-10-6-7-11-12(19-10)13(16-3)14(17-4)15(18-5)20-11/h9-15H,6-8H2,1-5H3/t10-,11+,12+,13-,14+,15-/m0/s1.
What are the key properties of (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
(2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran has a molecular weight of 288.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is sourced from PubChem (CID 132524985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).