(2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol

C33H58O20 — CID 53349184

IUPAC(2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=CCCCCCCCCO[C@@H]1O[C@@H]([C@@H](CO)O[C@@H]2O[C@@H]([C@@H](CO[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C33H58O20/c1-2-3-4-5-6-7-8-9-10-46-30-25(44)21(40)28(52-30)17(13-36)49-33-26(45)22(41)29(53-33)18(50-32-23(42)19(38)16(12-35)48-32)14-47-31-24(43)20(39)27(51-31)15(37)11-34/h2,15-45H,1,3-14H2/t15-,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-,26-,27+,28+,29+,30-,31-,32-,33-/m1/s1
InChIKeyJDQBQOYWLNHKII-OUXHSZSMSA-N
MW774.81 g/mol
LogP-5.17
Rot. Bonds23

About (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 53349184) has the molecular formula C33H58O20 and a molecular weight of 774.81 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID53349184
Molecular FormulaC33H58O20
Molecular Weight774.81 g/mol
Exact Mass774.35
IUPAC Name(2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=CCCCCCCCCO[C@@H]1O[C@@H]([C@@H](CO)O[C@@H]2O[C@@H]([C@@H](CO[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C33H58O20/c1-2-3-4-5-6-7-8-9-10-46-30-25(44)21(40)28(52-30)17(13-36)49-33-26(45)22(41)29(53-33)18(50-32-23(42)19(38)16(12-35)48-32)14-47-31-24(43)20(39)27(51-31)15(37)11-34/h2,15-45H,1,3-14H2/t15-,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-,26-,27+,28+,29+,30-,31-,32-,33-/m1/s1
InChIKeyJDQBQOYWLNHKII-OUXHSZSMSA-N
XLogP-5.17
TPSA316.60 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.81
LogP ≤ 5-5.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11443449
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[(1R)-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 102407270
(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
CID 91859722
(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
CID 91851389
(2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
CID 162918256
(3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
CID 91859642
(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
CID 91846160
(2S,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(2S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 10004100
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56683097
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473
(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988485

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol (CID 53349184) is (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol is C=CCCCCCCCCO[C@@H]1O[C@@H]([C@@H](CO)O[C@@H]2O[C@@H]([C@@H](CO[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is JDQBQOYWLNHKII-OUXHSZSMSA-N. The full InChI is InChI=1S/C33H58O20/c1-2-3-4-5-6-7-8-9-10-46-30-25(44)21(40)28(52-30)17(13-36)49-33-26(45)22(41)29(53-33)18(50-32-23(42)19(38)16(12-35)48-32)14-47-31-24(43)20(39)27(51-31)15(37)11-34/h2,15-45H,1,3-14H2/t15-,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-,26-,27+,28+,29+,30-,31-,32-,33-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 774.81 g/mol, XLogP of -5.17, 23 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-dec-9-enoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-3,4-dihydroxyoxolan-2-yl]-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethoxy]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 53349184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).