(2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol

C19H26N4O6 — CID 10597463

IUPAC(2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](Oc2nc(C)cc(C)n2)[C@H]1Oc1nc(C)cc(C)n1
InChIInChI=1S/C19H26N4O6/c1-9-6-10(2)21-18(20-9)28-15-14(25)13(8-24)27-17(26-5)16(15)29-19-22-11(3)7-12(4)23-19/h6-7,13-17,24-25H,8H2,1-5H3/t13-,14-,15+,16-,17+/m1/s1
InChIKeyXYNHPFVFSSBNOK-UUAJXVIYSA-N
MW406.44 g/mol
LogP0.42
Rot. Bonds6

About (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol

(2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol (PubChem CID 10597463) has the molecular formula C19H26N4O6 and a molecular weight of 406.44 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol
PubChem CID10597463
Molecular FormulaC19H26N4O6
Molecular Weight406.44 g/mol
Exact Mass406.19
IUPAC Name(2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](Oc2nc(C)cc(C)n2)[C@H]1Oc1nc(C)cc(C)n1
InChIInChI=1S/C19H26N4O6/c1-9-6-10(2)21-18(20-9)28-15-14(25)13(8-24)27-17(26-5)16(15)29-19-22-11(3)7-12(4)23-19/h6-7,13-17,24-25H,8H2,1-5H3/t13-,14-,15+,16-,17+/m1/s1
InChIKeyXYNHPFVFSSBNOK-UUAJXVIYSA-N
XLogP0.42
TPSA128.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol (CID 10597463) is (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol is CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](Oc2nc(C)cc(C)n2)[C@H]1Oc1nc(C)cc(C)n1.
What is the InChIKey of (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol?
The InChIKey is XYNHPFVFSSBNOK-UUAJXVIYSA-N. The full InChI is InChI=1S/C19H26N4O6/c1-9-6-10(2)21-18(20-9)28-15-14(25)13(8-24)27-17(26-5)16(15)29-19-22-11(3)7-12(4)23-19/h6-7,13-17,24-25H,8H2,1-5H3/t13-,14-,15+,16-,17+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol?
(2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol has a molecular weight of 406.44 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-4,5-bis[(4,6-dimethylpyrimidin-2-yl)oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-ol is sourced from PubChem (CID 10597463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).