(4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide

C9H15N3O7 — CID 100968712

IUPAC(4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide
SMILESNC(=O)N1C(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H15N3O7/c10-8(17)12-7(16)6(15)11(9(12)18)5-1-3(14)4(2-13)19-5/h3-7,13-16H,1-2H2,(H2,10,17)/t3-,4+,5+,6-,7-/m0/s1
InChIKeySSJGANFJFMBLKF-XUVCUMPTSA-N
MW277.23 g/mol
LogP-3.09
Rot. Bonds2

About (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide

(4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 100968712) has the molecular formula C9H15N3O7 and a molecular weight of 277.23 g/mol. Its IUPAC name is (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide
PubChem CID100968712
Molecular FormulaC9H15N3O7
Molecular Weight277.23 g/mol
Exact Mass277.09
IUPAC Name(4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide
SMILESNC(=O)N1C(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H15N3O7/c10-8(17)12-7(16)6(15)11(9(12)18)5-1-3(14)4(2-13)19-5/h3-7,13-16H,1-2H2,(H2,10,17)/t3-,4+,5+,6-,7-/m0/s1
InChIKeySSJGANFJFMBLKF-XUVCUMPTSA-N
XLogP-3.09
TPSA156.79 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-3.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-5-one
CID 10922258
2-hydroxy-3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-4-one
CID 177150363
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
CID 67312306
2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]acetic acid
CID 54053326
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylic acid
CID 23112726
3,4-dihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
CID 102088718
5-acetyl-4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 72736985
3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide
CID 176964247
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
4-amino-5-(2-chloroethenyl)-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 87921528

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide (CID 100968712) is (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide is NC(=O)N1C(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is SSJGANFJFMBLKF-XUVCUMPTSA-N. The full InChI is InChI=1S/C9H15N3O7/c10-8(17)12-7(16)6(15)11(9(12)18)5-1-3(14)4(2-13)19-5/h3-7,13-16H,1-2H2,(H2,10,17)/t3-,4+,5+,6-,7-/m0/s1.
What are the key properties of (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide?
(4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 277.23 g/mol, XLogP of -3.09, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 100968712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).