(3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol

C8H14O6 — CID 102475258

IUPAC(3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol
SMILESOC[C@H]1O[C@@H]2CC(O)O[C@H]2[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14O6/c9-2-4-6(11)7(12)8-3(13-4)1-5(10)14-8/h3-12H,1-2H2/t3-,4-,5?,6-,7+,8-/m1/s1
InChIKeyKKPFKLQYORIGJN-VXGBBXGKSA-N
MW206.19 g/mol
LogP-2.42
Rot. Bonds1

About (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol

(3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol (PubChem CID 102475258) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol.

Molecular Properties

Compound Name(3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol
PubChem CID102475258
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol
SMILESOC[C@H]1O[C@@H]2CC(O)O[C@H]2[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14O6/c9-2-4-6(11)7(12)8-3(13-4)1-5(10)14-8/h3-12H,1-2H2/t3-,4-,5?,6-,7+,8-/m1/s1
InChIKeyKKPFKLQYORIGJN-VXGBBXGKSA-N
XLogP-2.42
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol with MolForge

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Related Compounds

(3aS,5R,6S,7S,7aR)-2-(aminomethyl)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6,7-diol
CID 131859263
(3aR,6S)-2-(aminomethyl)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6,7-diol
CID 152930911
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 134866326
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol?
The IUPAC name of (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol (CID 102475258) is (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol.
What is the SMILES notation for (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol?
The canonical SMILES for (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol is OC[C@H]1O[C@@H]2CC(O)O[C@H]2[C@@H](O)[C@@H]1O.
What is the InChIKey of (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol?
The InChIKey is KKPFKLQYORIGJN-VXGBBXGKSA-N. The full InChI is InChI=1S/C8H14O6/c9-2-4-6(11)7(12)8-3(13-4)1-5(10)14-8/h3-12H,1-2H2/t3-,4-,5?,6-,7+,8-/m1/s1.
What are the key properties of (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol?
(3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol has a molecular weight of 206.19 g/mol, XLogP of -2.42, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol is sourced from PubChem (CID 102475258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).