(2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol

C24H24FNO5 — CID 146604961

IUPAC(2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2cc3ccccc3cc2/C=C/c2ccccc2F)O[C@@H]1CO
InChIInChI=1S/C24H24FNO5/c25-18-8-4-3-5-14(18)9-10-17-11-15-6-1-2-7-16(15)12-19(17)30-24-23(29)22(28)21(26)20(13-27)31-24/h1-12,20-24,27-29H,13,26H2/b10-9+/t20-,21-,22+,23-,24-/m1/s1
InChIKeyIZLRLIMSGKLTBM-CHCLVBBRSA-N
MW425.46 g/mol
LogP2.29
Rot. Bonds5

About (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol

(2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 146604961) has the molecular formula C24H24FNO5 and a molecular weight of 425.46 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID146604961
Molecular FormulaC24H24FNO5
Molecular Weight425.46 g/mol
Exact Mass425.16
IUPAC Name(2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2cc3ccccc3cc2/C=C/c2ccccc2F)O[C@@H]1CO
InChIInChI=1S/C24H24FNO5/c25-18-8-4-3-5-14(18)9-10-17-11-15-6-1-2-7-16(15)12-19(17)30-24-23(29)22(28)21(26)20(13-27)31-24/h1-12,20-24,27-29H,13,26H2/b10-9+/t20-,21-,22+,23-,24-/m1/s1
InChIKeyIZLRLIMSGKLTBM-CHCLVBBRSA-N
XLogP2.29
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

2-(hydroxymethyl)-6-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 19078670
(3R,4S,5S,6R)-2-[2,4-difluoro-6-[(E)-2-(4-methylphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(E)-2-(4-methoxyphenyl)ethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[3-[(E)-2-(4-methylphenyl)ethenyl]naphthalen-2-yl]oxyoxane-3,4,5-triol
CID 158662399
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2S,3R,4S,5S,6R)-2-[2,4-difluoro-6-[(E)-2-phenylethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 126503424
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(3S,4S,5S,6R)-2-(2-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 68735810
(2S,3S,4S,5S,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 125181819
(3R,4S,5S,6R)-2-[2-[(E)-2-(3-fluorophenyl)ethenyl]-4,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 126503465
2-[(E)-2-[3,5-dimethoxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]benzonitrile
CID 126503441

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol (CID 146604961) is (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol is N[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2cc3ccccc3cc2/C=C/c2ccccc2F)O[C@@H]1CO.
What is the InChIKey of (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is IZLRLIMSGKLTBM-CHCLVBBRSA-N. The full InChI is InChI=1S/C24H24FNO5/c25-18-8-4-3-5-14(18)9-10-17-11-15-6-1-2-7-16(15)12-19(17)30-24-23(29)22(28)21(26)20(13-27)31-24/h1-12,20-24,27-29H,13,26H2/b10-9+/t20-,21-,22+,23-,24-/m1/s1.
What are the key properties of (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?
(2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 425.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6S)-5-amino-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 146604961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).