[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid

C16H18N4O8 — CID 175360752

IUPAC[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid
SMILESCOc1ccc(N(C(=O)O)[C@@H]2O[C@@H](n3ccc(NO)nc3=O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C16H18N4O8/c1-27-9-4-2-8(3-5-9)20(16(24)25)14-12(22)11(21)13(28-14)19-7-6-10(18-26)17-15(19)23/h2-7,11-14,21-22,26H,1H3,(H,24,25)(H,17,18,23)/t11-,12+,13-,14-/m1/s1
InChIKeyFLTXPCGCQAJGFD-XJFOESAGSA-N
MW394.34 g/mol
LogP-0.19
Rot. Bonds5

About [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid (PubChem CID 175360752) has the molecular formula C16H18N4O8 and a molecular weight of 394.34 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid
PubChem CID175360752
Molecular FormulaC16H18N4O8
Molecular Weight394.34 g/mol
Exact Mass394.11
IUPAC Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid
SMILESCOc1ccc(N(C(=O)O)[C@@H]2O[C@@H](n3ccc(NO)nc3=O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C16H18N4O8/c1-27-9-4-2-8(3-5-9)20(16(24)25)14-12(22)11(21)13(28-14)19-7-6-10(18-26)17-15(19)23/h2-7,11-14,21-22,26H,1H3,(H,24,25)(H,17,18,23)/t11-,12+,13-,14-/m1/s1
InChIKeyFLTXPCGCQAJGFD-XJFOESAGSA-N
XLogP-0.19
TPSA166.61 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid?
The IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid (CID 175360752) is [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid.
What is the SMILES notation for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid?
The canonical SMILES for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid is COc1ccc(N(C(=O)O)[C@@H]2O[C@@H](n3ccc(NO)nc3=O)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid?
The InChIKey is FLTXPCGCQAJGFD-XJFOESAGSA-N. The full InChI is InChI=1S/C16H18N4O8/c1-27-9-4-2-8(3-5-9)20(16(24)25)14-12(22)11(21)13(28-14)19-7-6-10(18-26)17-15(19)23/h2-7,11-14,21-22,26H,1H3,(H,24,25)(H,17,18,23)/t11-,12+,13-,14-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid?
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid has a molecular weight of 394.34 g/mol, XLogP of -0.19, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid is sourced from PubChem (CID 175360752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).