[(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen

C85H149N5O74S6-2 — CID 157441911

About [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen

[(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen (PubChem CID 157441911) has the molecular formula C85H149N5O74S6-2 and a molecular weight of 2617.49 g/mol. Its IUPAC name is [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen.

Molecular Properties

• Compound Name: [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen
• PubChem CID: 157441911
• Molecular Formula: C85H149N5O74S6-2
• Molecular Weight: 2617.49 g/mol
• Exact Mass: 2615.64
• IUPAC Name: [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen
• SMILES: COCC1CC(CO)O[C@@H](COC[C@@H]2C(COS(=O)(=O)O)O[C@@H](COC)C(NC(C)=O)[C@@H]2O)C1O.COC[C@@H]1C(C(=O)O)O[C@@H](COC[C@@H]2C(COS(=O)(=O)O)O[C@H](COC)C(NS(=O)(=O)O)[C@@H]2O)C(OS(=O)(=O)O)[C@@H]1O.CO[C@@H]1C(C(=O)O)O[C@@H](OC2[C@H](O)C(CO)O[C@H](C)[C@H]2NC(C)=O)[C@@H](O)C1O.CO[C@@H]1OC(CO)[C@H](OS(=O)(=O)O)[C@H](O[C@@H]2OC(C(=O)O)[C@@H](OC)[C@H](O)C2O)C1NC(C)=O.CO[C@@H]1O[C@@H](OS(=O)(=O)[O-])[C@H](O)C(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](OC)C(O)C2O)C1NC(C)=O.[H][H]
• InChI: InChI=1S/C20H37NO13S.C18H33NO20S3.C16H27NO15S.C16H27NO11.C15H25NO15S.H2/c1-11(23)21-18-16(8-30-3)34-15(10-32-35(26,27)28)14(20(18)25)7-31-9-17-19(24)12(6-29-2)4-13(5-22)33-17;1-33-3-9-15(21)17(39-42(30,31)32)12(38-16(9)18(22)23)6-35-4-8-10(7-36-41(27,28)29)37-11(5-34-2)13(14(8)20)19-40(24,25)26;1-5(19)17-7-11(10(32-33(24,25)26)6(4-18)29-15(7)28-3)30-16-9(21)8(20)12(27-2)13(31-16)14(22)23;1-5-8(17-6(2)19)12(9(20)7(4-18)26-5)27-16-11(22)10(21)13(25-3)14(28-16)15(23)24;1-4(17)16-5-9(8(20)15(30-13(5)27-3)31-32(23,24)25)28-14-7(19)6(18)10(26-2)11(29-14)12(21)22;/h12-20,22,24-25H,4-10H2,1-3H3,(H,21,23)(H,26,27,28);8-17,19-21H,3-7H2,1-2H3,(H,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32);6-13,15-16,18,20-21H,4H2,1-3H3,(H,17,19)(H,22,23)(H,24,25,26);5,7-14,16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24);5-11,13-15,18-20H,1-3H3,(H,16,17)(H,21,22)(H,23,24,25);1H/p-2/t12?,13?,14-,15?,16+,17+,18?,19?,20-;8-,9+,10?,11-,12+,13?,14-,15-,16?,17?;6?,7?,8-,9?,10+,11-,12+,13?,15-,16-;5-,7?,8-,9-,10?,11+,12?,13+,14?,16-;5?,6?,7?,8-,9?,10+,11-,13-,14-,15+;/m11111./s1
• InChIKey: BRTQUMVFJZNUEC-LJUDAERQSA-L
• XLogP: -19.83
• TPSA: 1180.63 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 66
• Rotatable Bonds: 52
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2617.49
LogP ≤ 5	-19.83
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	66

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 [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen?

The IUPAC name of [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen (CID 157441911) is [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen.

What is the SMILES notation for [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen?

The canonical SMILES for [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen is COCC1CC(CO)O[C@@H](COC[C@@H]2C(COS(=O)(=O)O)O[C@@H](COC)C(NC(C)=O)[C@@H]2O)C1O.COC[C@@H]1C(C(=O)O)O[C@@H](COC[C@@H]2C(COS(=O)(=O)O)O[C@H](COC)C(NS(=O)(=O)O)[C@@H]2O)C(OS(=O)(=O)O)[C@@H]1O.CO[C@@H]1C(C(=O)O)O[C@@H](OC2[C@H](O)C(CO)O[C@H](C)[C@H]2NC(C)=O)[C@@H](O)C1O.CO[C@@H]1OC(CO)[C@H](OS(=O)(=O)O)[C@H](O[C@@H]2OC(C(=O)O)[C@@H](OC)[C@H](O)C2O)C1NC(C)=O.CO[C@@H]1O[C@@H](OS(=O)(=O)[O-])[C@H](O)C(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](OC)C(O)C2O)C1NC(C)=O.[H][H].

What is the InChIKey of [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen?

The InChIKey is BRTQUMVFJZNUEC-LJUDAERQSA-L. The full InChI is InChI=1S/C20H37NO13S.C18H33NO20S3.C16H27NO15S.C16H27NO11.C15H25NO15S.H2/c1-11(23)21-18-16(8-30-3)34-15(10-32-35(26,27)28)14(20(18)25)7-31-9-17-19(24)12(6-29-2)4-13(5-22)33-17;1-33-3-9-15(21)17(39-42(30,31)32)12(38-16(9)18(22)23)6-35-4-8-10(7-36-41(27,28)29)37-11(5-34-2)13(14(8)20)19-40(24,25)26;1-5(19)17-7-11(10(32-33(24,25)26)6(4-18)29-15(7)28-3)30-16-9(21)8(20)12(27-2)13(31-16)14(22)23;1-5-8(17-6(2)19)12(9(20)7(4-18)26-5)27-16-11(22)10(21)13(25-3)14(28-16)15(23)24;1-4(17)16-5-9(8(20)15(30-13(5)27-3)31-32(23,24)25)28-14-7(19)6(18)10(26-2)11(29-14)12(21)22;/h12-20,22,24-25H,4-10H2,1-3H3,(H,21,23)(H,26,27,28);8-17,19-21H,3-7H2,1-2H3,(H,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32);6-13,15-16,18,20-21H,4H2,1-3H3,(H,17,19)(H,22,23)(H,24,25,26);5,7-14,16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24);5-11,13-15,18-20H,1-3H3,(H,16,17)(H,21,22)(H,23,24,25);1H/p-2/t12?,13?,14-,15?,16+,17+,18?,19?,20-;8-,9+,10?,11-,12+,13?,14-,15-,16?,17?;6?,7?,8-,9?,10+,11-,12+,13?,15-,16-;5-,7?,8-,9-,10?,11+,12?,13+,14?,16-;5?,6?,7?,8-,9?,10+,11-,13-,14-,15+;/m11111./s1.

What are the key properties of [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen?

[(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen has a molecular weight of 2617.49 g/mol, XLogP of -19.83, 52 rotatable bonds, 28 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,6R)-5-acetamido-4-hydroxy-3-[[(2S,4S)-3-hydroxy-6-(hydroxymethyl)-4-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-(methoxymethyl)oxan-2-yl]methyl hydrogen sulfate;(3S,5S,6R)-6-[(3S,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(2R,3S,6R)-6-[(2R,5R,6S)-3-acetamido-5-hydroxy-2-methoxy-6-sulfonatooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate;(3S,4R,6R)-6-[(3R,4R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid;(3S,4R,6S)-4-hydroxy-6-[[(3S,4R,6S)-4-hydroxy-6-(methoxymethyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-sulfooxyoxane-2-carboxylic acid;molecular hydrogen is sourced from PubChem (CID 157441911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).