(2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol

C15H15FO5 — CID 164817617

IUPAC(2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol
SMILESOC1[C@H](Oc2ccc([18F])c3ccccc23)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H15FO5/c16-10-5-6-12(9-4-2-1-3-8(9)10)21-15-14(19)13(18)11(17)7-20-15/h1-6,11,13-15,17-19H,7H2/t11-,13+,14?,15+/m1/s1/i16-1
InChIKeyYGZQJUBPTLKEHQ-ZXIGKTNMSA-N
MW293.28 g/mol
LogP0.80
Rot. Bonds2

About (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol

(2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol (PubChem CID 164817617) has the molecular formula C15H15FO5 and a molecular weight of 293.28 g/mol. Its IUPAC name is (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol
PubChem CID164817617
Molecular FormulaC15H15FO5
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name(2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol
SMILESOC1[C@H](Oc2ccc([18F])c3ccccc23)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H15FO5/c16-10-5-6-12(9-4-2-1-3-8(9)10)21-15-14(19)13(18)11(17)7-20-15/h1-6,11,13-15,17-19H,7H2/t11-,13+,14?,15+/m1/s1/i16-1
InChIKeyYGZQJUBPTLKEHQ-ZXIGKTNMSA-N
XLogP0.80
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R,5R)-2-[4-(1,3-benzodioxol-5-yl)naphthalen-1-yl]oxyoxane-3,4,5-triol
CID 139488858
(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 758005
(2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol
CID 7078165
(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 11173848
1-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxynaphthalene-2-carboxylic acid
CID 146116161
(2R)-2-phenoxyoxolane-3,4-diol
CID 18658260
(2R,3S,4S,5R)-2,5-di(anthracen-1-yloxy)oxane-3,4-diol
CID 91407822
(2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
CID 70183599
(2S,3R,4S,5R)-2-[4-[hydroxy-(2-methylphenyl)methyl]-2-methylphenoxy]oxane-3,4,5-triol
CID 10021418
5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol
CID 142590210
2-(3,4-dimethoxyphenyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
CID 102522457
(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol
CID 688371

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol?
The IUPAC name of (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol (CID 164817617) is (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol?
The canonical SMILES for (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol is OC1[C@H](Oc2ccc([18F])c3ccccc23)OC[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol?
The InChIKey is YGZQJUBPTLKEHQ-ZXIGKTNMSA-N. The full InChI is InChI=1S/C15H15FO5/c16-10-5-6-12(9-4-2-1-3-8(9)10)21-15-14(19)13(18)11(17)7-20-15/h1-6,11,13-15,17-19H,7H2/t11-,13+,14?,15+/m1/s1/i16-1.
What are the key properties of (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol?
(2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol has a molecular weight of 293.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol is sourced from PubChem (CID 164817617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).