(2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C24H33FO10 — CID 122492107

IUPAC(2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](C/C=C/c2ccc(/C=C/C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2F)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H33FO10/c25-14-9-12(3-1-5-15-19(28)23(32)21(30)17(10-26)34-15)7-8-13(14)4-2-6-16-20(29)24(33)22(31)18(11-27)35-16/h1-4,7-9,15-24,26-33H,5-6,10-11H2/b3-1+,4-2+/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-/m1/s1
InChIKeyPIMVMYKQYMKOJM-MYCOGJBHSA-N
MW500.52 g/mol
LogP-1.68
Rot. Bonds8

About (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 122492107) has the molecular formula C24H33FO10 and a molecular weight of 500.52 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID122492107
Molecular FormulaC24H33FO10
Molecular Weight500.52 g/mol
Exact Mass500.21
IUPAC Name(2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](C/C=C/c2ccc(/C=C/C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2F)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H33FO10/c25-14-9-12(3-1-5-15-19(28)23(32)21(30)17(10-26)34-15)7-8-13(14)4-2-6-16-20(29)24(33)22(31)18(11-27)35-16/h1-4,7-9,15-24,26-33H,5-6,10-11H2/b3-1+,4-2+/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-/m1/s1
InChIKeyPIMVMYKQYMKOJM-MYCOGJBHSA-N
XLogP-1.68
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.52
LogP ≤ 5-1.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 122492107) is (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](C/C=C/c2ccc(/C=C/C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2F)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is PIMVMYKQYMKOJM-MYCOGJBHSA-N. The full InChI is InChI=1S/C24H33FO10/c25-14-9-12(3-1-5-15-19(28)23(32)21(30)17(10-26)34-15)7-8-13(14)4-2-6-16-20(29)24(33)22(31)18(11-27)35-16/h1-4,7-9,15-24,26-33H,5-6,10-11H2/b3-1+,4-2+/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 500.52 g/mol, XLogP of -1.68, 8 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-2-[(E)-3-[3-fluoro-4-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 122492107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).