(3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol

C5H8O5 — CID 20762409

IUPAC(3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol
SMILESOC1=C(O)[C@@H](O)[C@H](O)CO1
InChIInChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-3,6-9H,1H2/t2-,3+/m1/s1
InChIKeyDPYFTMWLOWYHAJ-GBXIJSLDSA-N
MW148.11 g/mol
LogP-0.98
Rot. Bonds

About (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol

(3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol (PubChem CID 20762409) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol.

Molecular Properties

Compound Name(3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol
PubChem CID20762409
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name(3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol
SMILESOC1=C(O)[C@@H](O)[C@H](O)CO1
InChIInChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-3,6-9H,1H2/t2-,3+/m1/s1
InChIKeyDPYFTMWLOWYHAJ-GBXIJSLDSA-N
XLogP-0.98
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Dehydroglucose
CID 446012
Dehydrogalactose
CID 45490001
(2R,3S,4S)-5-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,6-triol
CID 445458
Dehydro hexose
CID 17865910
Dehydrorhamnose
CID 66776266
Methyltetrahydroxyfuran
CID 69539732
(2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol
CID 67133434
(2R,3S,4S)-3,4-dihydro-2H-pyran-2,3,4,5-tetrol
CID 444342
(2S,3S)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4,5-triol
CID 447973
(2R,3S,4R)-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2,3,4,5-tetrol
CID 16740986
(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol
CID 16741013
(2S,3S,4R)-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2,3,4,5-tetrol
CID 42626604

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol?
The IUPAC name of (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol (CID 20762409) is (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol.
What is the SMILES notation for (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol?
The canonical SMILES for (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol is OC1=C(O)[C@@H](O)[C@H](O)CO1.
What is the InChIKey of (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol?
The InChIKey is DPYFTMWLOWYHAJ-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-3,6-9H,1H2/t2-,3+/m1/s1.
What are the key properties of (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol?
(3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol has a molecular weight of 148.11 g/mol, XLogP of -0.98, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol is sourced from PubChem (CID 20762409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).