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

C7H12O7 — CID 90046246

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol
SMILESCO.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.CH4O/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2/h2,5,7-10H,1H2;2H,1H3/t2-,5+;/m0./s1
InChIKeyZKWVTFAQXGVDQV-RXSVEWSESA-N
MW208.17 g/mol
LogP-1.80
Rot. Bonds2

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

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol (PubChem CID 90046246) has the molecular formula C7H12O7 and a molecular weight of 208.17 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol
PubChem CID90046246
Molecular FormulaC7H12O7
Molecular Weight208.17 g/mol
Exact Mass208.06
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol
SMILESCO.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.CH4O/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2/h2,5,7-10H,1H2;2H,1H3/t2-,5+;/m0./s1
InChIKeyZKWVTFAQXGVDQV-RXSVEWSESA-N
XLogP-1.80
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-1.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

L-Ascorbic Acid
CID 54670067
Sodium Ascorbate
CID 23667548
Erythorbic Acid
CID 54675810
Calcium Ascorbate
CID 54740489
Sodium Erythorbate
CID 23683938
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
Ascorbate
CID 54679076
Ferrous Ascorbate
CID 86763295
Magnesium Ascorbate
CID 54682511
Calcium ascorbate dihydrate
CID 54682536
Manganese ascorbate
CID 90479050
Zinc Ascorbate
CID 91667835

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol (CID 90046246) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol is CO.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;methanol?
The InChIKey is ZKWVTFAQXGVDQV-RXSVEWSESA-N. The full InChI is InChI=1S/C6H8O6.CH4O/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2/h2,5,7-10H,1H2;2H,1H3/t2-,5+;/m0./s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanol has a molecular weight of 208.17 g/mol, XLogP of -1.80, 2 rotatable bonds, 5 hydrogen bond donors, and 7 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;methanol is sourced from PubChem (CID 90046246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).