(1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane

C9H16O5 — CID 99734634

IUPAC(1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@H]1[C@H](OC)[C@H]2OC[C@@H](O2)[C@H]1OC
InChIInChI=1S/C9H16O5/c1-10-6-5-4-13-9(14-5)8(12-3)7(6)11-2/h5-9H,4H2,1-3H3/t5-,6-,7-,8+,9+/m1/s1
InChIKeyZZSLTIGBKYUBSG-HXLXBVJFSA-N
MW204.22 g/mol
LogP-0.21
Rot. Bonds3

About (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane

(1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 99734634) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID99734634
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@H]1[C@H](OC)[C@H]2OC[C@@H](O2)[C@H]1OC
InChIInChI=1S/C9H16O5/c1-10-6-5-4-13-9(14-5)8(12-3)7(6)11-2/h5-9H,4H2,1-3H3/t5-,6-,7-,8+,9+/m1/s1
InChIKeyZZSLTIGBKYUBSG-HXLXBVJFSA-N
XLogP-0.21
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane with MolForge

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Related Compounds

[(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 14865255
(1R,2S,3R,4R,5R)-4-azido-2,3-dimethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 140547975
7-methoxy-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecane
CID 533685
(1R,2R,3R,4R,5R)-3-ethoxy-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 67930823
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074
[(1R,2S,3S,4R,5R)-3,4-diacetyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 11415002
(1R,2R,3R,4S)-3-fluoro-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384779
(1R,2R,3S,4R,5R)-4-butoxy-3-methoxy-6,8-dioxabicyclo[3.2.1]octan-2-ol
CID 140637415
[(1S,2R,3R,4S,5S)-4-acetyloxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 51346406
(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 131176478
(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol
CID 59042905
(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 10969136

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane (CID 99734634) is (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@H]1[C@H](OC)[C@H]2OC[C@@H](O2)[C@H]1OC.
What is the InChIKey of (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is ZZSLTIGBKYUBSG-HXLXBVJFSA-N. The full InChI is InChI=1S/C9H16O5/c1-10-6-5-4-13-9(14-5)8(12-3)7(6)11-2/h5-9H,4H2,1-3H3/t5-,6-,7-,8+,9+/m1/s1.
What are the key properties of (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane?
(1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 204.22 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 99734634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).