7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide

C38H68N4O26 — CID 101484999

IUPAC7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
SMILESO=C(N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)N1CCOCCOCCN(C(=O)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)CCOCCOCC1
InChIInChI=1S/C38H68N4O26/c43-13-17-21(47)23(49)29(55)35(65-17)67-31-19(15-45)63-33(27(53)25(31)51)39-37(57)41-1-5-59-9-10-61-7-3-42(4-8-62-12-11-60-6-2-41)38(58)40-34-28(54)26(52)32(20(16-46)64-34)68-36-30(56)24(50)22(48)18(14-44)66-36/h17-36,43-56H,1-16H2,(H,39,57)(H,40,58)/t17-,18-,19-,20-,21-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+/m1/s1
InChIKeyHHPRROFNCBRGBT-DPQXKDDXSA-N
MW996.96 g/mol
LogP-10.66
Rot. Bonds10

About 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide

7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide (PubChem CID 101484999) has the molecular formula C38H68N4O26 and a molecular weight of 996.96 g/mol. Its IUPAC name is 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide.

Molecular Properties

Compound Name7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
PubChem CID101484999
Molecular FormulaC38H68N4O26
Molecular Weight996.96 g/mol
Exact Mass996.41
IUPAC Name7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
SMILESO=C(N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)N1CCOCCOCCN(C(=O)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)CCOCCOCC1
InChIInChI=1S/C38H68N4O26/c43-13-17-21(47)23(49)29(55)35(65-17)67-31-19(15-45)63-33(27(53)25(31)51)39-37(57)41-1-5-59-9-10-61-7-3-42(4-8-62-12-11-60-6-2-41)38(58)40-34-28(54)26(52)32(20(16-46)64-34)68-36-30(56)24(50)22(48)18(14-44)66-36/h17-36,43-56H,1-16H2,(H,39,57)(H,40,58)/t17-,18-,19-,20-,21-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+/m1/s1
InChIKeyHHPRROFNCBRGBT-DPQXKDDXSA-N
XLogP-10.66
TPSA440.20 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500996.96
LogP ≤ 5-10.66
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Analyze 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide 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

N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide
CID 89112026
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10462067
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide
CID 54170448
N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide
CID 67702927
2-[[(2R,3R,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]oxyacetamide
CID 87829741
(3S,4S,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91290100
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 124904106
(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162975810
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 131705644
2-(hydroxy(113C)methyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy(2,3,4,5,6-13C5)oxane-3,4,5-triol
CID 169435877
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 67810472
(2S,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 11865438

Frequently Asked Questions

What is the IUPAC name of 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide?
The IUPAC name of 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide (CID 101484999) is 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide.
What is the SMILES notation for 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide?
The canonical SMILES for 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide is O=C(N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)N1CCOCCOCCN(C(=O)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)CCOCCOCC1.
What is the InChIKey of 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide?
The InChIKey is HHPRROFNCBRGBT-DPQXKDDXSA-N. The full InChI is InChI=1S/C38H68N4O26/c43-13-17-21(47)23(49)29(55)35(65-17)67-31-19(15-45)63-33(27(53)25(31)51)39-37(57)41-1-5-59-9-10-61-7-3-42(4-8-62-12-11-60-6-2-41)38(58)40-34-28(54)26(52)32(20(16-46)64-34)68-36-30(56)24(50)22(48)18(14-44)66-36/h17-36,43-56H,1-16H2,(H,39,57)(H,40,58)/t17-,18-,19-,20-,21-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+/m1/s1.
What are the key properties of 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide?
7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide has a molecular weight of 996.96 g/mol, XLogP of -10.66, 10 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide is sourced from PubChem (CID 101484999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).