[(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate

C19H36N2O8 — CID 129138358

IUPAC[(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)O[C@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C19H36N2O8/c1-6-9(3)12(20)17(24)28-15-14(23)11(8-22)27-19(26-5)16(15)29-18(25)13(21)10(4)7-2/h9-16,19,22-23H,6-8,20-21H2,1-5H3/t9-,10-,11+,12-,13-,14+,15-,16+,19-/m0/s1
InChIKeyJOXJBKGNEDTGOG-UZLRQOESSA-N
MW420.50 g/mol
LogP-0.72
Rot. Bonds10

About [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate

[(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 129138358) has the molecular formula C19H36N2O8 and a molecular weight of 420.50 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate
PubChem CID129138358
Molecular FormulaC19H36N2O8
Molecular Weight420.50 g/mol
Exact Mass420.25
IUPAC Name[(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)O[C@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C19H36N2O8/c1-6-9(3)12(20)17(24)28-15-14(23)11(8-22)27-19(26-5)16(15)29-18(25)13(21)10(4)7-2/h9-16,19,22-23H,6-8,20-21H2,1-5H3/t9-,10-,11+,12-,13-,14+,15-,16+,19-/m0/s1
InChIKeyJOXJBKGNEDTGOG-UZLRQOESSA-N
XLogP-0.72
TPSA163.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

[5-(2-aminopropanoyloxy)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] 2-aminopropanoate
CID 74003089
[(2R,3R,4S,5R,6S)-5-acetyloxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] acetate
CID 11140408
[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate
CID 6613644
[(2R,3R,4S,5S)-5-dodecanoyloxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] dodecanoate
CID 54277734
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl] acetate
CID 54161603
[(3R,4S,5R,6R)-2,3-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 70122725
[(3R,4S,5R,6R)-2-acetyloxy-5-hydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl] acetate
CID 146660249
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-5,6-dimethoxyoxane-3,4-diol
CID 11117256
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 11045418
(3S,4S,5R)-5-aminooxy-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 67771232
(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-methoxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163050257
[(2R,3R,4R)-2-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxolan-3-yl] 2-methylpropanoate
CID 118561907

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate (CID 129138358) is [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)O[C@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is JOXJBKGNEDTGOG-UZLRQOESSA-N. The full InChI is InChI=1S/C19H36N2O8/c1-6-9(3)12(20)17(24)28-15-14(23)11(8-22)27-19(26-5)16(15)29-18(25)13(21)10(4)7-2/h9-16,19,22-23H,6-8,20-21H2,1-5H3/t9-,10-,11+,12-,13-,14+,15-,16+,19-/m0/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate?
[(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 420.50 g/mol, XLogP of -0.72, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 129138358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).