1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C11H15N5O7S — CID 22845789

IUPAC1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@](O)(N=[N+]=[N-])[C@@H](C(O)S(C)(=O)=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O7S/c1-5-4-16(10(19)13-8(5)17)6-3-11(20,14-15-12)7(23-6)9(18)24(2,21)22/h4,6-7,9,18,20H,3H2,1-2H3,(H,13,17,19)/t6-,7-,9?,11+/m1/s1
InChIKeyKIURQZGUXWVKJW-GBXYMPPMSA-N
MW361.34 g/mol
LogP-1.51
Rot. Bonds4

About 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 22845789) has the molecular formula C11H15N5O7S and a molecular weight of 361.34 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID22845789
Molecular FormulaC11H15N5O7S
Molecular Weight361.34 g/mol
Exact Mass361.07
IUPAC Name1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@](O)(N=[N+]=[N-])[C@@H](C(O)S(C)(=O)=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O7S/c1-5-4-16(10(19)13-8(5)17)6-3-11(20,14-15-12)7(23-6)9(18)24(2,21)22/h4,6-7,9,18,20H,3H2,1-2H3,(H,13,17,19)/t6-,7-,9?,11+/m1/s1
InChIKeyKIURQZGUXWVKJW-GBXYMPPMSA-N
XLogP-1.51
TPSA187.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-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

bis[[(2S,3S,5R)-3-azido-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl] hydrogen phosphate
CID 56636931
1-[(2R,4R,5S)-4-fluoro-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 54036663
1-[(2R,4S,5S)-4-azido-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118466031
2-[(2R,3S,5R)-3-amino-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid
CID 54257996
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
1-[5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 110194722
1-[(2R,4S,5R)-4-ethanethioyl-4-hydroxy-5-(1-hydroxy-2-methylsulfanylethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 54487916
1-[(2R,4S,5S)-4-azido-5-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10131228
[(2S,3S,5R)-2-(azidomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methylphosphonic acid
CID 101145429
1-[(2S,5S,6S)-5-azido-6-methyloxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102375819
1-[(2R,3aR,6R,6aR)-3a,6-dihydroxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11459791
1-[(2S,4R,5R,6S)-4-azido-5-hydroxy-6-methyloxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 21145804

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 22845789) is 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@@](O)(N=[N+]=[N-])[C@@H](C(O)S(C)(=O)=O)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is KIURQZGUXWVKJW-GBXYMPPMSA-N. The full InChI is InChI=1S/C11H15N5O7S/c1-5-4-16(10(19)13-8(5)17)6-3-11(20,14-15-12)7(23-6)9(18)24(2,21)22/h4,6-7,9,18,20H,3H2,1-2H3,(H,13,17,19)/t6-,7-,9?,11+/m1/s1.
What are the key properties of 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 361.34 g/mol, XLogP of -1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-4-azido-4-hydroxy-5-[hydroxy(methylsulfonyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 22845789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).