bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

C24H42O25 — CID 157250453

About bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 157250453) has the molecular formula C24H42O25 and a molecular weight of 730.57 g/mol. Its IUPAC name is bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

• Compound Name: bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
• PubChem CID: 157250453
• Molecular Formula: C24H42O25
• Molecular Weight: 730.57 g/mol
• Exact Mass: 730.20
• IUPAC Name: bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
• SMILES: O=C=O.O=C=O.OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C11H20O10.C6H12O6.C5H10O5.2CO2/c12-1-3-5(14)7(16)9(18)11(19-3)21-10-8(17)6(15)4(2-13)20-10;7-1-2-3(8)4(9)5(10)6(11)12-2;6-1-2-3(7)4(8)5(9)10-2;2*2-1-3/h3-18H,1-2H2;2-11H,1H2;2-9H,1H2;;/t3-,4-,5-,6-,7+,8+,9-,10+,11-;2-,3-,4+,5-,6+;2-,3-,4+,5-;;/m111../s1
• InChIKey: AWGVWWPXOURSJO-RTXCCJOLSA-N
• XLogP: -11.73
• TPSA: 438.11 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	730.57
LogP ≤ 5	-11.73
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?

The IUPAC name of bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol (CID 157250453) is bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol.

What is the SMILES notation for bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?

The canonical SMILES for bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol is O=C=O.O=C=O.OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?

The InChIKey is AWGVWWPXOURSJO-RTXCCJOLSA-N. The full InChI is InChI=1S/C11H20O10.C6H12O6.C5H10O5.2CO2/c12-1-3-5(14)7(16)9(18)11(19-3)21-10-8(17)6(15)4(2-13)20-10;7-1-2-3(8)4(9)5(10)6(11)12-2;6-1-2-3(7)4(8)5(9)10-2;2*2-1-3/h3-18H,1-2H2;2-11H,1H2;2-9H,1H2;;/t3-,4-,5-,6-,7+,8+,9-,10+,11-;2-,3-,4+,5-,6+;2-,3-,4+,5-;;/m111../s1.

What are the key properties of bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?

bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 730.57 g/mol, XLogP of -11.73, 6 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 157250453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).