sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol

C38H77NaO35 — CID 174917706

About sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol

sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol (PubChem CID 174917706) has the molecular formula C38H77NaO35 and a molecular weight of 1116.99 g/mol. Its IUPAC name is sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol.

Molecular Properties

• Compound Name: sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
• PubChem CID: 174917706
• Molecular Formula: C38H77NaO35
• Molecular Weight: 1116.99 g/mol
• Exact Mass: 1116.41
• IUPAC Name: sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
• SMILES: CCO.OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.[H-].[Na+]
• InChI: InChI=1S/C12H22O11.C12H24O11.2C6H12O6.C2H6O.Na.H/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;7-1-3-4(9)5(10)6(11,2-8)12-3;7-1-2-3(8)4(9)5(10)6(11)12-2;1-2-3;;/h3-20H,1-2H2;4-21H,1-3H2;3-5,7-11H,1-2H2;2-11H,1H2;3H,2H2,1H3;;/q;;;;;+1;-1/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-;4-,5+,6+,7+,8+,9-,10+,11+,12+;3-,4-,5+,6-;2-,3-,4+,5-,6?;;;/m1011.../s1
• InChIKey: YICNOZGJMGGSMC-SWMBMQQRSA-N
• XLogP: -20.48
• TPSA: 631.05 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1116.99
LogP ≤ 5	-20.48
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

The IUPAC name of sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol (CID 174917706) is sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol.

What is the SMILES notation for sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

The canonical SMILES for sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol is CCO.OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.[H-].[Na+].

What is the InChIKey of sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

The InChIKey is YICNOZGJMGGSMC-SWMBMQQRSA-N. The full InChI is InChI=1S/C12H22O11.C12H24O11.2C6H12O6.C2H6O.Na.H/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;7-1-3-4(9)5(10)6(11,2-8)12-3;7-1-2-3(8)4(9)5(10)6(11)12-2;1-2-3;;/h3-20H,1-2H2;4-21H,1-3H2;3-5,7-11H,1-2H2;2-11H,1H2;3H,2H2,1H3;;/q;;;;;+1;-1/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-;4-,5+,6+,7+,8+,9-,10+,11+,12+;3-,4-,5+,6-;2-,3-,4+,5-,6?;;;/m1011.../s1.

What are the key properties of sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol has a molecular weight of 1116.99 g/mol, XLogP of -20.48, 15 rotatable bonds, 28 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;ethanol;hydride;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol is sourced from PubChem (CID 174917706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).