N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide

C23H38N2O15 — CID 23230797

IUPACN-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide
SMILESCO[C@@H]1O[C@@H]2CNC(=O)CO[C@@H]3[C@H](O[C@H]2[C@H](O[C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]3O
InChIInChI=1S/C23H38N2O15/c1-7-13(29)15(31)17(33)22(36-7)40-19-12(25-8(2)27)21(34-3)37-9-4-24-11(28)6-35-20-16(32)14(30)10(5-26)38-23(20)39-18(9)19/h7,9-10,12-23,26,29-33H,4-6H2,1-3H3,(H,24,28)(H,25,27)/t7-,9-,10-,12-,13+,14+,15+,16+,17-,18-,19-,20+,21-,22-,23+/m1/s1
InChIKeyHHAWQDYSCBEYMB-MPDOUVKXSA-N
MW582.56 g/mol
LogP-5.59
Rot. Bonds5

About N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide

N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide (PubChem CID 23230797) has the molecular formula C23H38N2O15 and a molecular weight of 582.56 g/mol. Its IUPAC name is N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide
PubChem CID23230797
Molecular FormulaC23H38N2O15
Molecular Weight582.56 g/mol
Exact Mass582.23
IUPAC NameN-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide
SMILESCO[C@@H]1O[C@@H]2CNC(=O)CO[C@@H]3[C@H](O[C@H]2[C@H](O[C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]3O
InChIInChI=1S/C23H38N2O15/c1-7-13(29)15(31)17(33)22(36-7)40-19-12(25-8(2)27)21(34-3)37-9-4-24-11(28)6-35-20-16(32)14(30)10(5-26)38-23(20)39-18(9)19/h7,9-10,12-23,26,29-33H,4-6H2,1-3H3,(H,24,28)(H,25,27)/t7-,9-,10-,12-,13+,14+,15+,16+,17-,18-,19-,20+,21-,22-,23+/m1/s1
InChIKeyHHAWQDYSCBEYMB-MPDOUVKXSA-N
XLogP-5.59
TPSA244.19 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500582.56
LogP ≤ 5-5.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 163598828
N-[(2R,3S,4S,5R,6S)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
CID 10482016
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N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
CID 102436276
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
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CID 10628264
N-[(2S,3R,4R,5S,6R)-4-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide?
The IUPAC name of N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide (CID 23230797) is N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide.
What is the SMILES notation for N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide?
The canonical SMILES for N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide is CO[C@@H]1O[C@@H]2CNC(=O)CO[C@@H]3[C@H](O[C@H]2[C@H](O[C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]3O.
What is the InChIKey of N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide?
The InChIKey is HHAWQDYSCBEYMB-MPDOUVKXSA-N. The full InChI is InChI=1S/C23H38N2O15/c1-7-13(29)15(31)17(33)22(36-7)40-19-12(25-8(2)27)21(34-3)37-9-4-24-11(28)6-35-20-16(32)14(30)10(5-26)38-23(20)39-18(9)19/h7,9-10,12-23,26,29-33H,4-6H2,1-3H3,(H,24,28)(H,25,27)/t7-,9-,10-,12-,13+,14+,15+,16+,17-,18-,19-,20+,21-,22-,23+/m1/s1.
What are the key properties of N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide?
N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide has a molecular weight of 582.56 g/mol, XLogP of -5.59, 5 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide is sourced from PubChem (CID 23230797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).