6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol

C11H18O11 — CID 166001621

IUPAC6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol
SMILESOCC1=C(OC2OC(O)C(O)C(O)C2O)[C@@H](O)[C@@H](O)[C@H](O)O1
InChIInChI=1S/C11H18O11/c12-1-2-8(4(14)6(16)9(18)20-2)21-11-7(17)3(13)5(15)10(19)22-11/h3-7,9-19H,1H2/t3?,4-,5?,6+,7?,9+,10?,11?/m0/s1
InChIKeyPGPUBPRPJVKBAS-ULBVDPMPSA-N
MW326.25 g/mol
LogP-4.97
Rot. Bonds3

About 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol

6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol (PubChem CID 166001621) has the molecular formula C11H18O11 and a molecular weight of 326.25 g/mol. Its IUPAC name is 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol
PubChem CID166001621
Molecular FormulaC11H18O11
Molecular Weight326.25 g/mol
Exact Mass326.08
IUPAC Name6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol
SMILESOCC1=C(OC2OC(O)C(O)C(O)C2O)[C@@H](O)[C@@H](O)[C@H](O)O1
InChIInChI=1S/C11H18O11/c12-1-2-8(4(14)6(16)9(18)20-2)21-11-7(17)3(13)5(15)10(19)22-11/h3-7,9-19H,1H2/t3?,4-,5?,6+,7?,9+,10?,11?/m0/s1
InChIKeyPGPUBPRPJVKBAS-ULBVDPMPSA-N
XLogP-4.97
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500326.25
LogP ≤ 5-4.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol
CID 140981846
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90477358
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 42631536
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(2S,4R,5S)-2-[(2R,3S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89449179
5-methoxyoxolane-2,3,4-triol
CID 122494930
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
CID 71254851
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122220747
2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
CID 69086659

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol?
The IUPAC name of 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol (CID 166001621) is 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol.
What is the SMILES notation for 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol?
The canonical SMILES for 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol is OCC1=C(OC2OC(O)C(O)C(O)C2O)[C@@H](O)[C@@H](O)[C@H](O)O1.
What is the InChIKey of 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol?
The InChIKey is PGPUBPRPJVKBAS-ULBVDPMPSA-N. The full InChI is InChI=1S/C11H18O11/c12-1-2-8(4(14)6(16)9(18)20-2)21-11-7(17)3(13)5(15)10(19)22-11/h3-7,9-19H,1H2/t3?,4-,5?,6+,7?,9+,10?,11?/m0/s1.
What are the key properties of 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol?
6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol has a molecular weight of 326.25 g/mol, XLogP of -4.97, 3 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,3R,4S)-2,3,4-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]oxy]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 166001621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).