disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate

C19H28Na2O16 — CID 101080797

About disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate

disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate (PubChem CID 101080797) has the molecular formula C19H28Na2O16 and a molecular weight of 558.40 g/mol. Its IUPAC name is disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate.

Molecular Properties

• Compound Name: disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate
• PubChem CID: 101080797
• Molecular Formula: C19H28Na2O16
• Molecular Weight: 558.40 g/mol
• Exact Mass: 558.12
• IUPAC Name: disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate
• SMILES: C=CCO[C@]1(C(=O)[O-])C[C@@H](O[C@@]2(C(=O)[O-])O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]([C@H](O)CO)O1.[Na+].[Na+]
• InChI: InChI=1S/C19H30O16.2Na/c1-2-3-32-18(16(28)29)4-9(10(24)13(34-18)7(22)5-20)33-19(17(30)31)15(27)12(26)11(25)14(35-19)8(23)6-21;;/h2,7-15,20-27H,1,3-6H2,(H,28,29)(H,30,31);;/q;2*+1/p-2/t7-,8-,9-,10-,11-,12+,13-,14-,15+,18-,19-;;/m1../s1
• InChIKey: YCPDITNTGDSFSI-AYJYULKBSA-L
• XLogP: -14.19
• TPSA: 279.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	558.40
LogP ≤ 5	-14.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate?

The IUPAC name of disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate (CID 101080797) is disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate.

What is the SMILES notation for disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate?

The canonical SMILES for disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate is C=CCO[C@]1(C(=O)[O-])C[C@@H](O[C@@]2(C(=O)[O-])O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]([C@H](O)CO)O1.[Na+].[Na+].

What is the InChIKey of disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate?

The InChIKey is YCPDITNTGDSFSI-AYJYULKBSA-L. The full InChI is InChI=1S/C19H30O16.2Na/c1-2-3-32-18(16(28)29)4-9(10(24)13(34-18)7(22)5-20)33-19(17(30)31)15(27)12(26)11(25)14(35-19)8(23)6-21;;/h2,7-15,20-27H,1,3-6H2,(H,28,29)(H,30,31);;/q;2*+1/p-2/t7-,8-,9-,10-,11-,12+,13-,14-,15+,18-,19-;;/m1../s1.

What are the key properties of disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate?

disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate has a molecular weight of 558.40 g/mol, XLogP of -14.19, 11 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-prop-2-enoxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylate is sourced from PubChem (CID 101080797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).