1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione

C18H18N2O7 — CID 89477311

IUPAC1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione
SMILESCO[C@H]1[C@H](n2ccc(=O)[nH]c2=O)OC2=C(O[C@H](c3ccccc3)OC2)[C@@H]1O
InChIInChI=1S/C18H18N2O7/c1-24-15-13(22)14-11(9-25-17(27-14)10-5-3-2-4-6-10)26-16(15)20-8-7-12(21)19-18(20)23/h2-8,13,15-17,22H,9H2,1H3,(H,19,21,23)/t13-,15+,16+,17+/m0/s1
InChIKeyXTZWDKUUVWJOTN-RKTXRCNFSA-N
MW374.35 g/mol
LogP0.40
Rot. Bonds3

About 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione

1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione (PubChem CID 89477311) has the molecular formula C18H18N2O7 and a molecular weight of 374.35 g/mol. Its IUPAC name is 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione
PubChem CID89477311
Molecular FormulaC18H18N2O7
Molecular Weight374.35 g/mol
Exact Mass374.11
IUPAC Name1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione
SMILESCO[C@H]1[C@H](n2ccc(=O)[nH]c2=O)OC2=C(O[C@H](c3ccccc3)OC2)[C@@H]1O
InChIInChI=1S/C18H18N2O7/c1-24-15-13(22)14-11(9-25-17(27-14)10-5-3-2-4-6-10)26-16(15)20-8-7-12(21)19-18(20)23/h2-8,13,15-17,22H,9H2,1H3,(H,19,21,23)/t13-,15+,16+,17+/m0/s1
InChIKeyXTZWDKUUVWJOTN-RKTXRCNFSA-N
XLogP0.40
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70956068
1-[(2S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 69009867
1-[(2R,4S,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953345
1-[(2S,4R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465356
1-[(2R,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15333745
1-[(2R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70658640
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl benzoate
CID 67175751
1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 25050618
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164958906
1-[(2R,4R,5S)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 175618494
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione (CID 89477311) is 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione is CO[C@H]1[C@H](n2ccc(=O)[nH]c2=O)OC2=C(O[C@H](c3ccccc3)OC2)[C@@H]1O.
What is the InChIKey of 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione?
The InChIKey is XTZWDKUUVWJOTN-RKTXRCNFSA-N. The full InChI is InChI=1S/C18H18N2O7/c1-24-15-13(22)14-11(9-25-17(27-14)10-5-3-2-4-6-10)26-16(15)20-8-7-12(21)19-18(20)23/h2-8,13,15-17,22H,9H2,1H3,(H,19,21,23)/t13-,15+,16+,17+/m0/s1.
What are the key properties of 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione?
1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione has a molecular weight of 374.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R,7R,8R)-8-hydroxy-7-methoxy-2-phenyl-4,6,7,8-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 89477311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).