hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

C36H44Na6O37 — CID 172642719

About hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate (PubChem CID 172642719) has the molecular formula C36H44Na6O37 and a molecular weight of 1206.65 g/mol. Its IUPAC name is hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate.

Molecular Properties

• Compound Name: hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
• PubChem CID: 172642719
• Molecular Formula: C36H44Na6O37
• Molecular Weight: 1206.65 g/mol
• Exact Mass: 1206.09
• IUPAC Name: hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
• SMILES: O=C[C@@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@@H]3O[C@@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@@H](C(=O)[O-])[C@@H](O[C@@H]5O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]5O)C(O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O)[C@@H](O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C36H50O37.6Na/c37-1-2(38)3(39)16(15(51)26(52)53)64-33-11(47)6(42)18(22(70-33)28(56)57)66-35-13(49)8(44)20(24(72-35)30(60)61)68-36-14(50)9(45)19(25(73-36)31(62)63)67-34-12(48)7(43)17(23(71-34)29(58)59)65-32-10(46)4(40)5(41)21(69-32)27(54)55;;;;;;/h1-25,32-36,38-51H,(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63);;;;;;/q;6*+1/p-6/t2-,3-,4+,5+,6-,7?,8-,9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22-,23-,24-,25-,32-,33-,34-,35-,36-;;;;;;/m1....../s1
• InChIKey: MSJKZMIFEMDWPL-HUQFLTDISA-H
• XLogP: -39.69
• TPSA: 633.37 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1206.65
LogP ≤ 5	-39.69
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate?

The IUPAC name of hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate (CID 172642719) is hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate.

What is the SMILES notation for hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate?

The canonical SMILES for hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate is O=C[C@@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@@H]3O[C@@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@@H](C(=O)[O-])[C@@H](O[C@@H]5O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]5O)C(O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O)[C@@H](O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate?

The InChIKey is MSJKZMIFEMDWPL-HUQFLTDISA-H. The full InChI is InChI=1S/C36H50O37.6Na/c37-1-2(38)3(39)16(15(51)26(52)53)64-33-11(47)6(42)18(22(70-33)28(56)57)66-35-13(49)8(44)20(24(72-35)30(60)61)68-36-14(50)9(45)19(25(73-36)31(62)63)67-34-12(48)7(43)17(23(71-34)29(58)59)65-32-10(46)4(40)5(41)21(69-32)27(54)55;;;;;;/h1-25,32-36,38-51H,(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63);;;;;;/q;6*+1/p-6/t2-,3-,4+,5+,6-,7?,8-,9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22-,23-,24-,25-,32-,33-,34-,35-,36-;;;;;;/m1....../s1.

What are the key properties of hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate?

hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate has a molecular weight of 1206.65 g/mol, XLogP of -39.69, 20 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for hexasodium;(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(2R,3S,4R,5S,6R)-2-carboxylato-6-[(1R,2S,3R,4S)-1-carboxylato-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate is sourced from PubChem (CID 172642719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).