(2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol

C30H50O21 — CID 102390249

About (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol

(2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol (PubChem CID 102390249) has the molecular formula C30H50O21 and a molecular weight of 746.71 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
• PubChem CID: 102390249
• Molecular Formula: C30H50O21
• Molecular Weight: 746.71 g/mol
• Exact Mass: 746.28
• IUPAC Name: (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
• SMILES: C=CCO[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O
• InChI: InChI=1S/C30H50O21/c1-4-5-42-28-23(16(36)14(34)10(2)46-28)51-27-19(39)22(50-29-24(40)30(41,8-31)9-45-29)20(11(3)47-27)48-26-18(38)21(13(33)7-44-26)49-25-17(37)15(35)12(32)6-43-25/h4,10-29,31-41H,1,5-9H2,2-3H3/t10-,11+,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27+,28+,29+,30-/m1/s1
• InChIKey: WWCALBXEELTXGB-FZAGMBNWSA-N
• XLogP: -6.74
• TPSA: 314.83 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	746.71
LogP ≤ 5	-6.74
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol?

The IUPAC name of (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol (CID 102390249) is (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol.

What is the SMILES notation for (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol?

The canonical SMILES for (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol is C=CCO[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O.

What is the InChIKey of (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol?

The InChIKey is WWCALBXEELTXGB-FZAGMBNWSA-N. The full InChI is InChI=1S/C30H50O21/c1-4-5-42-28-23(16(36)14(34)10(2)46-28)51-27-19(39)22(50-29-24(40)30(41,8-31)9-45-29)20(11(3)47-27)48-26-18(38)21(13(33)7-44-26)49-25-17(37)15(35)12(32)6-43-25/h4,10-29,31-41H,1,5-9H2,2-3H3/t10-,11+,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27+,28+,29+,30-/m1/s1.

What are the key properties of (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol?

(2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol has a molecular weight of 746.71 g/mol, XLogP of -6.74, 12 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 102390249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).