(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine

C12H14N4O10 — CID 141450091

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H6N4O4.C6H8O6/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;7-1-2(8)5-3(9)4(10)6(11)12-5/h1-3,8H,7H2;2,5,7-10H,1H2/t;2-,5+/m.0/s1
InChIKeyHILCRPGINKWIID-MGMRMFRLSA-N
MW374.26 g/mol
LogP-0.62
Rot. Bonds5

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine (PubChem CID 141450091) has the molecular formula C12H14N4O10 and a molecular weight of 374.26 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine
PubChem CID141450091
Molecular FormulaC12H14N4O10
Molecular Weight374.26 g/mol
Exact Mass374.07
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H6N4O4.C6H8O6/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;7-1-2(8)5-3(9)4(10)6(11)12-5/h1-3,8H,7H2;2,5,7-10H,1H2/t;2-,5+/m.0/s1
InChIKeyHILCRPGINKWIID-MGMRMFRLSA-N
XLogP-0.62
TPSA231.55 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500374.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
(2,4-dinitrophenyl)hydrazine;propan-2-one
CID 162068337
tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate
CID 173001729
cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate
CID 90478282
N'-(2,4-dinitrophenyl)methanediamine
CID 23597616
1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine
CID 78954587
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
(1S)-2-(2,4-dinitroanilino)-1-phenylethanol
CID 9311814
1-cyclopropyl-3-(2,4-dinitrophenyl)propan-1-ol
CID 66223940
2-(2,4-dinitroanilino)acetate
CID 4738135
[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid
CID 23421481
2-hydrazinyl-5-nitroaniline
CID 130769325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine (CID 141450091) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine is NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine?
The InChIKey is HILCRPGINKWIID-MGMRMFRLSA-N. The full InChI is InChI=1S/C6H6N4O4.C6H8O6/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;7-1-2(8)5-3(9)4(10)6(11)12-5/h1-3,8H,7H2;2,5,7-10H,1H2/t;2-,5+/m.0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine has a molecular weight of 374.26 g/mol, XLogP of -0.62, 5 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,4-dinitrophenyl)hydrazine is sourced from PubChem (CID 141450091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).