(2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol

C11H16O6 — CID 141152758

IUPAC(2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol
SMILES[2H][C@@]1(C2=CCOC=C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H16O6/c12-5-7-8(13)9(14)10(15)11(17-7)6-1-3-16-4-2-6/h1-3,7-15H,4-5H2/t7-,8-,9+,10-,11+/m1/s1/i11D
InChIKeyLDAGCBDKGQJSHZ-BXQUJCQTSA-N
MW245.25 g/mol
LogP-1.70
Rot. Bonds2

About (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol (PubChem CID 141152758) has the molecular formula C11H16O6 and a molecular weight of 245.25 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol
PubChem CID141152758
Molecular FormulaC11H16O6
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name(2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol
SMILES[2H][C@@]1(C2=CCOC=C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H16O6/c12-5-7-8(13)9(14)10(15)11(17-7)6-1-3-16-4-2-6/h1-3,7-15H,4-5H2/t7-,8-,9+,10-,11+/m1/s1/i11D
InChIKeyLDAGCBDKGQJSHZ-BXQUJCQTSA-N
XLogP-1.70
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 44586823
Ro09-1549
CID 139584528
(1R,2R,6R)-1-[(2R,4R,5R,6R)-6-[(1S,2S,3E,7E,9E,11E,15E)-1,2-dihydroxyoctadeca-3,7,9,11,15,17-hexaenyl]-4,5-dihydroxyoxan-2-yl]-6-[(2S,4S,5S,6S)-4,5-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl]-3-methylidenehexane-1,2,6-triol
CID 132965753
Galactosyl pentadecene
CID 132281348
(1S,6S,7R,9S,11R,13S,19R,20R)-7-(hydroxymethyl)-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-3,14,16-triene-6,20-diol
CID 24778478
Galactosylgalactal
CID 129754392
1-beta-d-Glucopyranosyl-2,6-dimethoxy-4-propenylphenol
CID 129887796
6-[(E)-[3-hydroxy-2-(hydroxymethyl)oxan-4-ylidene]methyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 134864924
(1R,2S,3R,6R)-6-ethoxy-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
CID 164671101
(1R,2S,3S,6R)-6-ethoxy-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
CID 164671102
(1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol
CID 11402562
2-Hexa-2,4-dien-3-yl-6-(hydroxymethyl)oxan-4-ol
CID 178416808

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol (CID 141152758) is (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol is [2H][C@@]1(C2=CCOC=C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol?
The InChIKey is LDAGCBDKGQJSHZ-BXQUJCQTSA-N. The full InChI is InChI=1S/C11H16O6/c12-5-7-8(13)9(14)10(15)11(17-7)6-1-3-16-4-2-6/h1-3,7-15H,4-5H2/t7-,8-,9+,10-,11+/m1/s1/i11D.
What are the key properties of (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol has a molecular weight of 245.25 g/mol, XLogP of -1.70, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-deuterio-6-(hydroxymethyl)-2-(2H-pyran-4-yl)oxane-3,4,5-triol is sourced from PubChem (CID 141152758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).