(3R,4S,6R)-6-hydroperoxyoxane-3,4-diol

C5H10O5 — CID 134233154

IUPAC(3R,4S,6R)-6-hydroperoxyoxane-3,4-diol
SMILESOO[C@@H]1C[C@H](O)[C@H](O)CO1
InChIInChI=1S/C5H10O5/c6-3-1-5(10-8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5+/m0/s1
InChIKeyWPXAKEYBLBVSQD-VPENINKCSA-N
MW150.13 g/mol
LogP-1.06
Rot. Bonds1

About (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol

(3R,4S,6R)-6-hydroperoxyoxane-3,4-diol (PubChem CID 134233154) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,6R)-6-hydroperoxyoxane-3,4-diol
PubChem CID134233154
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name(3R,4S,6R)-6-hydroperoxyoxane-3,4-diol
SMILESOO[C@@H]1C[C@H](O)[C@H](O)CO1
InChIInChI=1S/C5H10O5/c6-3-1-5(10-8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5+/m0/s1
InChIKeyWPXAKEYBLBVSQD-VPENINKCSA-N
XLogP-1.06
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,5S)-oxane-2,4,5-triol
CID 11859680
(2R)-2-hydroperoxyoxetan-3-ol
CID 118398660
(3R,4S,6R)-6-butoxyoxane-3,4-diol
CID 101388444
(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 129010301
(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 145221120
(3S,4R,6S)-6-(2-methylphenoxy)oxane-3,4-diol
CID 59967025
(3R,4R,6R)-4,6-dimethoxyoxan-3-ol
CID 131103746
(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol
CID 89129444
(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol
CID 55289944
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(4R)-6-ethyloxane-3,4-diol
CID 90277867
(3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 169116609

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol?
The IUPAC name of (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol (CID 134233154) is (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol.
What is the SMILES notation for (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol?
The canonical SMILES for (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol is OO[C@@H]1C[C@H](O)[C@H](O)CO1.
What is the InChIKey of (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol?
The InChIKey is WPXAKEYBLBVSQD-VPENINKCSA-N. The full InChI is InChI=1S/C5H10O5/c6-3-1-5(10-8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5+/m0/s1.
What are the key properties of (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol?
(3R,4S,6R)-6-hydroperoxyoxane-3,4-diol has a molecular weight of 150.13 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-6-hydroperoxyoxane-3,4-diol is sourced from PubChem (CID 134233154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).