[5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate

C12H16O10 — CID 67845146

IUPAC[5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(COC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)o1
InChIInChI=1S/C12H16O10/c13-3-6-8(14)9(15)10(16)11(21-6)19-4-5-1-2-7(20-5)22-12(17)18/h1-2,6,8-11,13-16H,3-4H2,(H,17,18)/t6-,8-,9+,10-,11?/m1/s1
InChIKeyGQCVSPYZAXJIDX-YKVPTUPCSA-N
MW320.25 g/mol
LogP-1.35
Rot. Bonds5

About [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate

[5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate (PubChem CID 67845146) has the molecular formula C12H16O10 and a molecular weight of 320.25 g/mol. Its IUPAC name is [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate
PubChem CID67845146
Molecular FormulaC12H16O10
Molecular Weight320.25 g/mol
Exact Mass320.07
IUPAC Name[5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(COC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)o1
InChIInChI=1S/C12H16O10/c13-3-6-8(14)9(15)10(16)11(21-6)19-4-5-1-2-7(20-5)22-12(17)18/h1-2,6,8-11,13-16H,3-4H2,(H,17,18)/t6-,8-,9+,10-,11?/m1/s1
InChIKeyGQCVSPYZAXJIDX-YKVPTUPCSA-N
XLogP-1.35
TPSA159.05 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-carboxylic acid
CID 18652371
5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-carbaldehyde
CID 11594441
5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-carbaldehyde
CID 18419660
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methoxy]oxane-3,4,5-triol
CID 102329612
2-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]benzoic acid
CID 66850653
2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetic acid
CID 140878022
2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetic acid
CID 100999891
1-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone
CID 91101493
1-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone
CID 91412699

Frequently Asked Questions

What is the IUPAC name of [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate?
The IUPAC name of [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate (CID 67845146) is [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate.
What is the SMILES notation for [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate?
The canonical SMILES for [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate is O=C(O)Oc1ccc(COC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)o1.
What is the InChIKey of [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate?
The InChIKey is GQCVSPYZAXJIDX-YKVPTUPCSA-N. The full InChI is InChI=1S/C12H16O10/c13-3-6-8(14)9(15)10(16)11(21-6)19-4-5-1-2-7(20-5)22-12(17)18/h1-2,6,8-11,13-16H,3-4H2,(H,17,18)/t6-,8-,9+,10-,11?/m1/s1.
What are the key properties of [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate?
[5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate has a molecular weight of 320.25 g/mol, XLogP of -1.35, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-yl] hydrogen carbonate is sourced from PubChem (CID 67845146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).