(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol

C10H18O10 — CID 11529514

IUPAC(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
SMILESOC[C@@H]1O[C@]2(O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]2(O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O10/c11-1-3-5(13)7(15)10(18)9(17,19-3)8(16)6(14)4(2-12)20-10/h3-8,11-18H,1-2H2/t3-,4+,5-,6+,7+,8-,9+,10-
InChIKeyHFTMYDMVCZRBCQ-YJEJVTBQSA-N
MW298.24 g/mol
LogP-5.41
Rot. Bonds2

About (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol

(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol (PubChem CID 11529514) has the molecular formula C10H18O10 and a molecular weight of 298.24 g/mol. Its IUPAC name is (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol.

Molecular Properties

Compound Name(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
PubChem CID11529514
Molecular FormulaC10H18O10
Molecular Weight298.24 g/mol
Exact Mass298.09
IUPAC Name(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
SMILESOC[C@@H]1O[C@]2(O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]2(O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O10/c11-1-3-5(13)7(15)10(18)9(17,19-3)8(16)6(14)4(2-12)20-10/h3-8,11-18H,1-2H2/t3-,4+,5-,6+,7+,8-,9+,10-
InChIKeyHFTMYDMVCZRBCQ-YJEJVTBQSA-N
XLogP-5.41
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.24
LogP ≤ 5-5.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol?
The IUPAC name of (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol (CID 11529514) is (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol.
What is the SMILES notation for (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol?
The canonical SMILES for (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol is OC[C@@H]1O[C@]2(O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]2(O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol?
The InChIKey is HFTMYDMVCZRBCQ-YJEJVTBQSA-N. The full InChI is InChI=1S/C10H18O10/c11-1-3-5(13)7(15)10(18)9(17,19-3)8(16)6(14)4(2-12)20-10/h3-8,11-18H,1-2H2/t3-,4+,5-,6+,7+,8-,9+,10-.
What are the key properties of (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol?
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol has a molecular weight of 298.24 g/mol, XLogP of -5.41, 2 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol is sourced from PubChem (CID 11529514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).