(6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid

C11H18N2O7 — CID 163071531

IUPAC(6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid
SMILESCC1=NCC[C@@](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)(C(=O)O)N1
InChIInChI=1S/C11H18N2O7/c1-5-12-3-2-11(13-5,10(17)18)20-9-8(16)7(15)6(4-14)19-9/h6-9,14-16H,2-4H2,1H3,(H,12,13)(H,17,18)/t6-,7+,8-,9+,11-/m1/s1
InChIKeyTUHFNHUGPARRAS-RKYHVTRTSA-N
MW290.27 g/mol
LogP-2.37
Rot. Bonds4

About (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid

(6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid (PubChem CID 163071531) has the molecular formula C11H18N2O7 and a molecular weight of 290.27 g/mol. Its IUPAC name is (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid
PubChem CID163071531
Molecular FormulaC11H18N2O7
Molecular Weight290.27 g/mol
Exact Mass290.11
IUPAC Name(6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid
SMILESCC1=NCC[C@@](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)(C(=O)O)N1
InChIInChI=1S/C11H18N2O7/c1-5-12-3-2-11(13-5,10(17)18)20-9-8(16)7(15)6(4-14)19-9/h6-9,14-16H,2-4H2,1H3,(H,12,13)(H,17,18)/t6-,7+,8-,9+,11-/m1/s1
InChIKeyTUHFNHUGPARRAS-RKYHVTRTSA-N
XLogP-2.37
TPSA140.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]acetic acid
CID 162998122
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 175420137
acetic acid;(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 162312820
acetic acid;2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 21287822
(6S,6aS,9aS,9bS)-3,6,9-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
CID 101252065
(2R,3S,4S,5R)-2-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 10154424
(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid (CID 163071531) is (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid is CC1=NCC[C@@](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)(C(=O)O)N1.
What is the InChIKey of (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid?
The InChIKey is TUHFNHUGPARRAS-RKYHVTRTSA-N. The full InChI is InChI=1S/C11H18N2O7/c1-5-12-3-2-11(13-5,10(17)18)20-9-8(16)7(15)6(4-14)19-9/h6-9,14-16H,2-4H2,1H3,(H,12,13)(H,17,18)/t6-,7+,8-,9+,11-/m1/s1.
What are the key properties of (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid?
(6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of -2.37, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 163071531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).