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

C24H34O10 — CID 90251020

IUPAC(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](C/C=C/c2cccc(/C=C/C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H34O10/c25-11-17-21(29)23(31)19(27)15(33-17)8-2-6-13-4-1-5-14(10-13)7-3-9-16-20(28)24(32)22(30)18(12-26)34-16/h1-7,10,15-32H,8-9,11-12H2/b6-2+,7-3+/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1
InChIKeyCHNDDPNIVGMWFO-KEKPYAMXSA-N
MW482.53 g/mol
LogP-1.82
Rot. Bonds8

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

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol (PubChem CID 90251020) has the molecular formula C24H34O10 and a molecular weight of 482.53 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol
PubChem CID90251020
Molecular FormulaC24H34O10
Molecular Weight482.53 g/mol
Exact Mass482.22
IUPAC Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](C/C=C/c2cccc(/C=C/C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H34O10/c25-11-17-21(29)23(31)19(27)15(33-17)8-2-6-13-4-1-5-14(10-13)7-3-9-16-20(28)24(32)22(30)18(12-26)34-16/h1-7,10,15-32H,8-9,11-12H2/b6-2+,7-3+/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1
InChIKeyCHNDDPNIVGMWFO-KEKPYAMXSA-N
XLogP-1.82
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 5-1.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(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
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[2-[3-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]ethenyl]phenyl]oxane-3,4,5-triol
CID 123705610
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
CID 154497375
(2R,5S)-2-[(E)-3-[2,5-dimethoxy-4-[(E)-3-[(2R,3S,4R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]-6-methyloxane-3,4,5-triol
CID 144652638
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
methyl 5-[(E)-3-[(2R,4R,5R)-4,5-dihydroxyoxan-2-yl]prop-1-enyl]-2-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]benzoate
CID 144652759
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol;phenol
CID 131712515
(2R,3S,4R,5S)-2-(hydroxymethyl)-6-(3-hydroxyphenyl)oxane-3,4,5-triol
CID 71731174
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 162127183
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 14259408
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol (CID 90251020) is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol is OC[C@H]1O[C@H](C/C=C/c2cccc(/C=C/C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol?
The InChIKey is CHNDDPNIVGMWFO-KEKPYAMXSA-N. The full InChI is InChI=1S/C24H34O10/c25-11-17-21(29)23(31)19(27)15(33-17)8-2-6-13-4-1-5-14(10-13)7-3-9-16-20(28)24(32)22(30)18(12-26)34-16/h1-7,10,15-32H,8-9,11-12H2/b6-2+,7-3+/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol?
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol has a molecular weight of 482.53 g/mol, XLogP of -1.82, 8 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol is sourced from PubChem (CID 90251020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).