2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol

C10H12O7 — CID 88795509

IUPAC2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol
SMILESOC1=COC(O)(O[C@H]2C=C[C@@H](O)C2)C(O)=C1O
InChIInChI=1S/C10H12O7/c11-5-1-2-6(3-5)17-10(15)9(14)8(13)7(12)4-16-10/h1-2,4-6,11-15H,3H2/t5-,6+,10?/m1/s1
InChIKeyDFFXZTAKYMWZCL-CGQSYLDTSA-N
MW244.20 g/mol
LogP0.10
Rot. Bonds2

About 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol

2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol (PubChem CID 88795509) has the molecular formula C10H12O7 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol.

Molecular Properties

Compound Name2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol
PubChem CID88795509
Molecular FormulaC10H12O7
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol
SMILESOC1=COC(O)(O[C@H]2C=C[C@@H](O)C2)C(O)=C1O
InChIInChI=1S/C10H12O7/c11-5-1-2-6(3-5)17-10(15)9(14)8(13)7(12)4-16-10/h1-2,4-6,11-15H,3H2/t5-,6+,10?/m1/s1
InChIKeyDFFXZTAKYMWZCL-CGQSYLDTSA-N
XLogP0.10
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(Hydroxymethyl)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol
CID 356156
(2R,3S,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
CID 10679111
(2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
CID 11309942
2-(4-Hydroxycyclopent-2-en-1-yl)oxypyran-2,3,4,5-tetrol
CID 20390440
7-(Hydroxymethyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
CID 58773638
1-Ethoxycyclohexa-3,5-diene-1,2,4-triol
CID 69411223
3a,4-Dihydro-1,3-benzodioxol-4-ol
CID 69459644
1,4-Bis(2-hydroxyethoxy)cyclohexa-3,5-diene-1,2-diol
CID 69977755
1,4-Bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol
CID 70372846
2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol
CID 70607129
(1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol
CID 70607942
(1R,4R)-4-[[(2S)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol
CID 70608443

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol?
The IUPAC name of 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol (CID 88795509) is 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol.
What is the SMILES notation for 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol?
The canonical SMILES for 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol is OC1=COC(O)(O[C@H]2C=C[C@@H](O)C2)C(O)=C1O.
What is the InChIKey of 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol?
The InChIKey is DFFXZTAKYMWZCL-CGQSYLDTSA-N. The full InChI is InChI=1S/C10H12O7/c11-5-1-2-6(3-5)17-10(15)9(14)8(13)7(12)4-16-10/h1-2,4-6,11-15H,3H2/t5-,6+,10?/m1/s1.
What are the key properties of 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol?
2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol has a molecular weight of 244.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxypyran-2,3,4,5-tetrol is sourced from PubChem (CID 88795509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).