(2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one

C7H10O6 — CID 139935827

IUPAC(2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one
SMILESC[C@](O)(CO)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C7H10O6/c1-7(12,2-8)5-3(9)4(10)6(11)13-5/h5,8-10,12H,2H2,1H3/t5-,7-/m0/s1
InChIKeyYPBJENYQGUTCSG-FSPLSTOPSA-N
MW190.15 g/mol
LogP-1.02
Rot. Bonds2

About (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one

(2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 139935827) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID139935827
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name(2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one
SMILESC[C@](O)(CO)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C7H10O6/c1-7(12,2-8)5-3(9)4(10)6(11)13-5/h5,8-10,12H,2H2,1H3/t5-,7-/m0/s1
InChIKeyYPBJENYQGUTCSG-FSPLSTOPSA-N
XLogP-1.02
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one (CID 139935827) is (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one is C[C@](O)(CO)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is YPBJENYQGUTCSG-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H10O6/c1-7(12,2-8)5-3(9)4(10)6(11)13-5/h5,8-10,12H,2H2,1H3/t5-,7-/m0/s1.
What are the key properties of (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one?
(2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 190.15 g/mol, XLogP of -1.02, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 139935827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).