(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol

C34H42N4O6 — CID 45485291

IUPAC(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol
SMILESNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccc4ccccc4c3)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](OCc2cccc3ccccc23)[C@@H]1O
InChIInChI=1S/C34H42N4O6/c35-16-27-29(39)33(42-18-23-10-5-9-21-7-3-4-11-24(21)23)28(38)34(43-27)44-32-26(37)15-25(36)31(30(32)40)41-17-19-12-13-20-6-1-2-8-22(20)14-19/h1-14,25-34,39-40H,15-18,35-38H2/t25-,26+,27-,28-,29-,30-,31+,32-,33-,34-/m1/s1
InChIKeyQPZYLVHLJXMVPN-MRUDNGBMSA-N
MW602.73 g/mol
LogP1.64
Rot. Bonds9

About (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol

(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol (PubChem CID 45485291) has the molecular formula C34H42N4O6 and a molecular weight of 602.73 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol
PubChem CID45485291
Molecular FormulaC34H42N4O6
Molecular Weight602.73 g/mol
Exact Mass602.31
IUPAC Name(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol
SMILESNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccc4ccccc4c3)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](OCc2cccc3ccccc23)[C@@H]1O
InChIInChI=1S/C34H42N4O6/c35-16-27-29(39)33(42-18-23-10-5-9-21-7-3-4-11-24(21)23)28(38)34(43-27)44-32-26(37)15-25(36)31(30(32)40)41-17-19-12-13-20-6-1-2-8-22(20)14-19/h1-14,25-34,39-40H,15-18,35-38H2/t25-,26+,27-,28-,29-,30-,31+,32-,33-,34-/m1/s1
InChIKeyQPZYLVHLJXMVPN-MRUDNGBMSA-N
XLogP1.64
TPSA181.46 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 51.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol?
The IUPAC name of (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol (CID 45485291) is (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol?
The canonical SMILES for (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol is NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccc4ccccc4c3)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](OCc2cccc3ccccc23)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol?
The InChIKey is QPZYLVHLJXMVPN-MRUDNGBMSA-N. The full InChI is InChI=1S/C34H42N4O6/c35-16-27-29(39)33(42-18-23-10-5-9-21-7-3-4-11-24(21)23)28(38)34(43-27)44-32-26(37)15-25(36)31(30(32)40)41-17-19-12-13-20-6-1-2-8-22(20)14-19/h1-14,25-34,39-40H,15-18,35-38H2/t25-,26+,27-,28-,29-,30-,31+,32-,33-,34-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol?
(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol has a molecular weight of 602.73 g/mol, XLogP of 1.64, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-1-ylmethoxy)oxan-3-ol is sourced from PubChem (CID 45485291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).