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

C12H20O8 — CID 162911292

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol
SMILESC[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1
InChIKeySCLGLFRXJNHKQZ-XFLMTTEOSA-N
MW292.28 g/mol
LogP-2.54
Rot. Bonds3

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol (PubChem CID 162911292) has the molecular formula C12H20O8 and a molecular weight of 292.28 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol
PubChem CID162911292
Molecular FormulaC12H20O8
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol
SMILESC[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1
InChIKeySCLGLFRXJNHKQZ-XFLMTTEOSA-N
XLogP-2.54
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-2.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

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Related Compounds

(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Methylbut-3-En-2-Yloxy)Oxane-3,4,5-Triol
CID 5316128
1-Octen-3-yl primeveroside
CID 24094121
1-Octen-3-yl glucoside
CID 73817234
(2S,3S,4S,5S,6R)-2-[(E)-hept-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72725803
Allyl-beta-D-glucopyranoside
CID 11736138
Allyl galactopyranoside
CID 151026
prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
CID 124222715
Itoside L
CID 24879104
(2S,3R,4S,5S,6R)-2-[(3R)-oct-1-en-3-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 44566793
(2R,3R,4S,5R,6R)-2-(Allyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 11020396
Allyl alpha-D-mannopyranoside
CID 11183597
(2R,3R,4S,5S,6R)-2-[(3R)-8-hydroxyoct-1-en-3-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 636597

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol (CID 162911292) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol is C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol?
The InChIKey is SCLGLFRXJNHKQZ-XFLMTTEOSA-N. The full InChI is InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol has a molecular weight of 292.28 g/mol, XLogP of -2.54, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 162911292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).