6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C20H18O7 — CID 72551848

IUPAC6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1OC(Oc2ccc3cc4ccccc4cc3c2)C(O)C(O)C1O
InChIInChI=1S/C20H18O7/c21-15-16(22)18(19(24)25)27-20(17(15)23)26-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,15-18,20-23H,(H,24,25)
InChIKeyGWHDMFIKZCYEPV-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.26
Rot. Bonds3

About 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 72551848) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID72551848
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1OC(Oc2ccc3cc4ccccc4cc3c2)C(O)C(O)C1O
InChIInChI=1S/C20H18O7/c21-15-16(22)18(19(24)25)27-20(17(15)23)26-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,15-18,20-23H,(H,24,25)
InChIKeyGWHDMFIKZCYEPV-UHFFFAOYSA-N
XLogP1.26
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-yloxyoxane-2-carboxylic acid
CID 130476793
6-(6-bromonaphthalen-2-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 3625613
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyren-2-yloxyoxane-2-carboxylic acid
CID 87686038
(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
CID 26470476
(3R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
CID 133124983
(2S,3S,4S,5R)-6-anthracen-9-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 90998603
(2S,3S,4S,5R)-6-(4-fluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154699837
(2S,3S,4R,5R,6S)-6-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 52914900
3,4,5-trihydroxy-6-[3-[(E)-3-phenylprop-2-enoyl]phenoxy]oxane-2-carboxylic acid
CID 131839035
6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163173750
(2S,3S,4S,5R)-6-(4-tert-butylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154699617
6-(4-ethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 131831705

Frequently Asked Questions

What is the IUPAC name of 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 72551848) is 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid is O=C(O)C1OC(Oc2ccc3cc4ccccc4cc3c2)C(O)C(O)C1O.
What is the InChIKey of 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is GWHDMFIKZCYEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7/c21-15-16(22)18(19(24)25)27-20(17(15)23)26-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,15-18,20-23H,(H,24,25).
What are the key properties of 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 370.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 72551848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).