sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol

C37H66NNaO22 — CID 162114417

IUPACsodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol
SMILESCC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](C(C)C)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)OC(CO)[C@H](O)[C@@H]1O.CO[C@@H]1C(O)[C@H](C(C)C)OC(CO)[C@@H]1O.[Na+]
InChIInChI=1S/C27H47NO17.C10H20O5.Na/c1-9(2)21-20(38)24(45-27(26(39)40)5-12(33)10(3)22(44-27)17(35)13(34)6-29)23(15(8-31)41-21)43-25-16(28-11(4)32)19(37)18(36)14(7-30)42-25;1-5(2)9-8(13)10(14-3)7(12)6(4-11)15-9;/h9-10,12-25,29-31,33-38H,5-8H2,1-4H3,(H,28,32)(H,39,40);5-13H,4H2,1-3H3;/q;;+1/p-1/t10-,12?,13-,14?,15?,16?,17-,18+,19-,20?,21+,22-,23+,24-,25+,27+;6?,7-,8?,9-,10-;/m10./s1
InChIKeyZGOOTIMGDILSNN-MQEDTEBMSA-M
MW899.91 g/mol
LogP-10.43
Rot. Bonds15

About sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol

sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol (PubChem CID 162114417) has the molecular formula C37H66NNaO22 and a molecular weight of 899.91 g/mol. Its IUPAC name is sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol.

Molecular Properties

Compound Namesodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol
PubChem CID162114417
Molecular FormulaC37H66NNaO22
Molecular Weight899.91 g/mol
Exact Mass899.40
IUPAC Namesodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol
SMILESCC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](C(C)C)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)OC(CO)[C@H](O)[C@@H]1O.CO[C@@H]1C(O)[C@H](C(C)C)OC(CO)[C@@H]1O.[Na+]
InChIInChI=1S/C27H47NO17.C10H20O5.Na/c1-9(2)21-20(38)24(45-27(26(39)40)5-12(33)10(3)22(44-27)17(35)13(34)6-29)23(15(8-31)41-21)43-25-16(28-11(4)32)19(37)18(36)14(7-30)42-25;1-5(2)9-8(13)10(14-3)7(12)6(4-11)15-9;/h9-10,12-25,29-31,33-38H,5-8H2,1-4H3,(H,28,32)(H,39,40);5-13H,4H2,1-3H3;/q;;+1/p-1/t10-,12?,13-,14?,15?,16?,17-,18+,19-,20?,21+,22-,23+,24-,25+,27+;6?,7-,8?,9-,10-;/m10./s1
InChIKeyZGOOTIMGDILSNN-MQEDTEBMSA-M
XLogP-10.43
TPSA376.60 Ų
H-Bond Donors13
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500899.91
LogP ≤ 5-10.43
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1022

Analyze sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R,5R)-2-[(2R,4S,5S)-2-[(2S,4R,5S)-3-acetamido-2-[(2S,4R,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 159141045
undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate
CID 165059175
(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 162038109
sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 160703906
5-acetamido-2-[2-[5-acetamido-2-(hydroxymethyl)-6-methoxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 59658616
sodium (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 23665547
sodium (2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5S)-3-acetamido-2-[(2R,4S,5S)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 172642848
(2S,4R,5R)-2-[(2S,4S,5S)-2-[(2S,4S,5R)-2-[(2S,4S,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(methoxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 160766276
(2S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 146017336
(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 91853857
(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S)-3-acetamido-4-methoxy-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 91930825
(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 139600864

Frequently Asked Questions

What is the IUPAC name of sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol?
The IUPAC name of sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol (CID 162114417) is sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol.
What is the SMILES notation for sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol?
The canonical SMILES for sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol is CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](C(C)C)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)OC(CO)[C@H](O)[C@@H]1O.CO[C@@H]1C(O)[C@H](C(C)C)OC(CO)[C@@H]1O.[Na+].
What is the InChIKey of sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol?
The InChIKey is ZGOOTIMGDILSNN-MQEDTEBMSA-M. The full InChI is InChI=1S/C27H47NO17.C10H20O5.Na/c1-9(2)21-20(38)24(45-27(26(39)40)5-12(33)10(3)22(44-27)17(35)13(34)6-29)23(15(8-31)41-21)43-25-16(28-11(4)32)19(37)18(36)14(7-30)42-25;1-5(2)9-8(13)10(14-3)7(12)6(4-11)15-9;/h9-10,12-25,29-31,33-38H,5-8H2,1-4H3,(H,28,32)(H,39,40);5-13H,4H2,1-3H3;/q;;+1/p-1/t10-,12?,13-,14?,15?,16?,17-,18+,19-,20?,21+,22-,23+,24-,25+,27+;6?,7-,8?,9-,10-;/m10./s1.
What are the key properties of sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol?
sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol has a molecular weight of 899.91 g/mol, XLogP of -10.43, 15 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol is sourced from PubChem (CID 162114417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).