1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione

C11H12IN3O8S — CID 10322612

IUPAC1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione
SMILESNC1=CS(=O)(=O)O[C@@]12[C@@H](CO)O[C@@H](n1cc(I)c(=O)[nH]c1=O)[C@@H]2O
InChIInChI=1S/C11H12IN3O8S/c12-4-1-15(10(19)14-8(4)18)9-7(17)11(6(2-16)22-9)5(13)3-24(20,21)23-11/h1,3,6-7,9,16-17H,2,13H2,(H,14,18,19)/t6-,7+,9-,11-/m1/s1
InChIKeyDMLTZZPHLOTGRS-YRCORFKGSA-N
MW473.20 g/mol
LogP-2.71
Rot. Bonds2

About 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione

1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione (PubChem CID 10322612) has the molecular formula C11H12IN3O8S and a molecular weight of 473.20 g/mol. Its IUPAC name is 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione
PubChem CID10322612
Molecular FormulaC11H12IN3O8S
Molecular Weight473.20 g/mol
Exact Mass472.94
IUPAC Name1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione
SMILESNC1=CS(=O)(=O)O[C@@]12[C@@H](CO)O[C@@H](n1cc(I)c(=O)[nH]c1=O)[C@@H]2O
InChIInChI=1S/C11H12IN3O8S/c12-4-1-15(10(19)14-8(4)18)9-7(17)11(6(2-16)22-9)5(13)3-24(20,21)23-11/h1,3,6-7,9,16-17H,2,13H2,(H,14,18,19)/t6-,7+,9-,11-/m1/s1
InChIKeyDMLTZZPHLOTGRS-YRCORFKGSA-N
XLogP-2.71
TPSA173.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.20
LogP ≤ 5-2.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione 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

1-[(8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
CID 137325087
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 3001487
1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 46876101
1-[(2R,3R,4R,5R)-4-acetyl-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 175676468
1-[(3aR,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-iodopyrimidine-2,4-dione
CID 54348719
1-[(6R,8R)-4-amino-9-hydroxy-2,2-dioxo-6-[(6R)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepan-6-yl]-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
CID 137324797
1-[(2S,3R,5S)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 11716120
1-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3-iodo-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
CID 10941029
sodium (2R,3R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-3-olate
CID 175677153
1-[4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 170453432
1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-5-iodopyrimidine-2,4-dione
CID 18950462
1-[(8R,9R)-4-amino-9-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
CID 137325784

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione (CID 10322612) is 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione is NC1=CS(=O)(=O)O[C@@]12[C@@H](CO)O[C@@H](n1cc(I)c(=O)[nH]c1=O)[C@@H]2O.
What is the InChIKey of 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione?
The InChIKey is DMLTZZPHLOTGRS-YRCORFKGSA-N. The full InChI is InChI=1S/C11H12IN3O8S/c12-4-1-15(10(19)14-8(4)18)9-7(17)11(6(2-16)22-9)5(13)3-24(20,21)23-11/h1,3,6-7,9,16-17H,2,13H2,(H,14,18,19)/t6-,7+,9-,11-/m1/s1.
What are the key properties of 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione?
1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione has a molecular weight of 473.20 g/mol, XLogP of -2.71, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 10322612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).