(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol

C6H8O4 — CID 140835106

IUPAC(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol
SMILESOC1C2O[C@H]3C(O)C2O[C@@H]13
InChIInChI=1S/C6H8O4/c7-1-3-5-2(8)6(9-3)4(1)10-5/h1-8H/t1?,2?,3-,4?,5-,6?/m0/s1
InChIKeyZMVNENIXLVZSJN-FDOQJFGUSA-N
MW144.13 g/mol
LogP-1.74
Rot. Bonds

About (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol

(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol (PubChem CID 140835106) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol.

Molecular Properties

Compound Name(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol
PubChem CID140835106
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol
SMILESOC1C2O[C@H]3C(O)C2O[C@@H]13
InChIInChI=1S/C6H8O4/c7-1-3-5-2(8)6(9-3)4(1)10-5/h1-8H/t1?,2?,3-,4?,5-,6?/m0/s1
InChIKeyZMVNENIXLVZSJN-FDOQJFGUSA-N
XLogP-1.74
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,4S,5S,7S,9R)-3,6,10-trioxatetracyclo[7.1.0.02,4.05,7]decan-8-ol
CID 12528736
(1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
CID 159595589
(1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
CID 125484587
(1R,2S,3R,4S,5R,6S)-5-amino-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 24763422
(1S,2R,4R,5R,6R)-2,4-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 118517804
3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol
CID 130150362
(1aR,2S,3S,3aS,6aR,6bS)-1a,2,3,3a,4,6,6a,6b-octahydrooxireno[2,3-g][2]benzofuran-2,3-diol
CID 25186851
(1S,2S,3R,4S,5R,6S)-5-methoxy-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 130831191
2,4,6-trioxatricyclo[3.3.1.03,7]nonane-8,9-diol
CID 130145131
ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 143692870
(1R,2R,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 13145602
(1R,2R,4R,5R,6S)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 98289950

Frequently Asked Questions

What is the IUPAC name of (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol?
The IUPAC name of (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol (CID 140835106) is (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol.
What is the SMILES notation for (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol?
The canonical SMILES for (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol is OC1C2O[C@H]3C(O)C2O[C@@H]13.
What is the InChIKey of (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol?
The InChIKey is ZMVNENIXLVZSJN-FDOQJFGUSA-N. The full InChI is InChI=1S/C6H8O4/c7-1-3-5-2(8)6(9-3)4(1)10-5/h1-8H/t1?,2?,3-,4?,5-,6?/m0/s1.
What are the key properties of (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol?
(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol has a molecular weight of 144.13 g/mol, XLogP of -1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol is sourced from PubChem (CID 140835106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).