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Search term: QCVFXBHXHBXIGZ-ZZMNMWMABL
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Inherent Properties, Identifiers and References
ChemSpider ID: 56524
Empirical Formula: C12H16FeO12
Molecular Weight: 408.0921
Nominal Mass: 408 Da
Average Mass: 408.0921 Da
Monoisotopic Mass: 407.998021 Da
Systematic Name: ferrous (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-on​e
SMILES: [Fe+2].O=C1C(\O)=C(\O)O[C@@H]1[C@@H](O)CO.O=C1C(\O)=C(\O)O[C@@H]1​[C@@H](O)CO
InChI: InChI=1/2C6H8O6.Fe/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-8,10​-11H,1H2;/q;;+2/t2*2-,5+;/m00./s1
InChIKey: QCVFXBHXHBXIGZ-ZZMNMWMABL
Std. InChI: InChI=1S/2C6H8O6.Fe/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-8,1​0-11H,1H2;/q;;+2/t2*2-,5+;/m00./s1
Std. InChIKey: QCVFXBHXHBXIGZ-ZZMNMWMASA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

246-469-7 [EINECS/ELINCS]

24808-52-4 [RN]

Dihydroge​n bis(L-a​scorbato(​2-)-02,03​)ferrate(​2-)

Ferrate(2​-), bis(L​-ascorbat​o(2-)-02,​03)-, dih​ydrogen

Ferrous a​scorbate

Ferrous c​evitamate

iron(2+) ​di-L-asco​rbate

Iron(2+) ​L-ascorba​te

Iron(II) ​ascorbate

L-Ascorbi​c acid, i​ron compl​ex

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ACD/LogP: -2.65 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -4.27 ACD/LogD (pH 7.4): -5.86
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 6 #H bond donors: 4
#Freely Rotating Bonds: 6 Polar Surface Area: 63.22 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 180.4 °C Enthalpy of Vaporization: 77.28 kJ/mol
Boiling Point: 415.8 °C at 760 mmHg Vapour Pressure: 1.18E-08 mmHg at 25°C