5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione

C10H11ClN2O5 — CID 14410723

IUPAC5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1[C@H](n2cc(Cl)c(=O)[nH]c2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C10H11ClN2O5/c1-4-7(15)6(3-14)18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9-/m1/s1
InChIKeyJZLACCZKTTXRTJ-BKPPORCPSA-N
MW274.66 g/mol
LogP-1.00
Rot. Bonds2

About 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione

5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 14410723) has the molecular formula C10H11ClN2O5 and a molecular weight of 274.66 g/mol. Its IUPAC name is 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID14410723
Molecular FormulaC10H11ClN2O5
Molecular Weight274.66 g/mol
Exact Mass274.04
IUPAC Name5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1[C@H](n2cc(Cl)c(=O)[nH]c2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C10H11ClN2O5/c1-4-7(15)6(3-14)18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9-/m1/s1
InChIKeyJZLACCZKTTXRTJ-BKPPORCPSA-N
XLogP-1.00
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14308790
1-[(2R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
CID 121487278
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-sulfanylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22868514
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
CID 14430116
5-chloro-1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57172100
5-chloro-1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14885922
1-[(2R,4S,5R)-3-ethylidene-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 54518307
1-[(2R,5R)-3-ethylidene-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57133371
1-[(2S,5S)-3-(difluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
CID 57109669
[(2R,3R,4R,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] methanesulfonate
CID 87409732
5-chloro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 10588705
5-chloro-1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 10802590

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione (CID 14410723) is 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione is C=C1[C@H](n2cc(Cl)c(=O)[nH]c2=O)O[C@H](CO)[C@H]1O.
What is the InChIKey of 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is JZLACCZKTTXRTJ-BKPPORCPSA-N. The full InChI is InChI=1S/C10H11ClN2O5/c1-4-7(15)6(3-14)18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9-/m1/s1.
What are the key properties of 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 274.66 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 14410723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).