decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate

C73H79N3Na10O49S8 — CID 71497126

About decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate

decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate (PubChem CID 71497126) has the molecular formula C73H79N3Na10O49S8 and a molecular weight of 2268.84 g/mol. Its IUPAC name is decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate.

Molecular Properties

• Compound Name: decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate
• PubChem CID: 71497126
• Molecular Formula: C73H79N3Na10O49S8
• Molecular Weight: 2268.84 g/mol
• Exact Mass: 2267.05
• IUPAC Name: decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate
• SMILES: CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OCc6ccccc6)[C@H](OCc6ccccc6)[C@H]5NS(=O)(=O)[O-])[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](OCc3ccccc3)[C@H]2OS(=O)(=O)[O-])[C@H](OCc2ccccc2)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C73H89N3O49S8.10Na/c1-105-69-50(74-126(81,82)83)57(108-34-43-24-12-4-13-25-43)54(48(115-69)39-113-130(93,94)95)118-73-66(125-133(102,103)104)60(110-36-45-28-16-6-17-29-45)62(64(123-73)68(79)80)121-71-52(76-128(87,88)89)58(124-132(99,100)101)55(49(117-71)40-114-131(96,97)98)119-72-65(111-37-46-30-18-7-19-31-46)59(109-35-44-26-14-5-15-27-44)61(63(122-72)67(77)78)120-70-51(75-127(84,85)86)56(107-33-42-22-10-3-11-23-42)53(47(116-70)38-112-129(90,91)92)106-32-41-20-8-2-9-21-41;;;;;;;;;;/h2-31,47-66,69-76H,32-40H2,1H3,(H,77,78)(H,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104);;;;;;;;;;/q;10*+1/p-10/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64-,65-,66-,69+,70-,71-,72-,73-;;;;;;;;;;/m1........../s1
• InChIKey: CRKQOQXFJBKOCE-NPJSNSPASA-D
• XLogP: -35.77
• TPSA: 767.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 49
• Rotatable Bonds: 48
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2268.84
LogP ≤ 5	-35.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate?

The IUPAC name of decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate (CID 71497126) is decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate.

What is the SMILES notation for decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate?

The canonical SMILES for decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate is CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OCc6ccccc6)[C@H](OCc6ccccc6)[C@H]5NS(=O)(=O)[O-])[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](OCc3ccccc3)[C@H]2OS(=O)(=O)[O-])[C@H](OCc2ccccc2)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate?

The InChIKey is CRKQOQXFJBKOCE-NPJSNSPASA-D. The full InChI is InChI=1S/C73H89N3O49S8.10Na/c1-105-69-50(74-126(81,82)83)57(108-34-43-24-12-4-13-25-43)54(48(115-69)39-113-130(93,94)95)118-73-66(125-133(102,103)104)60(110-36-45-28-16-6-17-29-45)62(64(123-73)68(79)80)121-71-52(76-128(87,88)89)58(124-132(99,100)101)55(49(117-71)40-114-131(96,97)98)119-72-65(111-37-46-30-18-7-19-31-46)59(109-35-44-26-14-5-15-27-44)61(63(122-72)67(77)78)120-70-51(75-127(84,85)86)56(107-33-42-22-10-3-11-23-42)53(47(116-70)38-112-129(90,91)92)106-32-41-20-8-2-9-21-41;;;;;;;;;;/h2-31,47-66,69-76H,32-40H2,1H3,(H,77,78)(H,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104);;;;;;;;;;/q;10*+1/p-10/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64-,65-,66-,69+,70-,71-,72-,73-;;;;;;;;;;/m1........../s1.

What are the key properties of decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate?

decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate has a molecular weight of 2268.84 g/mol, XLogP of -35.77, 48 rotatable bonds, 3 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for decasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-phenylmethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate is sourced from PubChem (CID 71497126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).