2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)

C76H148FN15O34 — CID 167566304

IUPAC2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)
SMILESCC1C(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(F)C3N)C2O)OC(CN)C(O)C1O.CCC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3C)C2O)O1.CCC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3C)C2O)O1
InChIInChI=1S/2C26H51N5O11.C24H46FN5O12/c2*1-3-10(28)14-5-4-11(29)25(37-14)40-21-13(31)6-12(30)18(34)23(21)42-26-20(36)22(16(8-32)39-26)41-24-9(2)17(33)19(35)15(7-27)38-24;1-6-14(32)17(35)10(4-27)37-22(6)41-20-11(5-31)39-24(18(20)36)42-21-15(33)7(28)2-8(29)19(21)40-23-13(30)12(25)16(34)9(3-26)38-23/h2*9-26,32-36H,3-8,27-31H2,1-2H3;6-24,31-36H,2-5,26-30H2,1H3
InChIKeyFIFJKVJCTNCKMA-UHFFFAOYSA-N
MW1835.09 g/mol
LogP-16.11
Rot. Bonds29

About 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)

2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol) (PubChem CID 167566304) has the molecular formula C76H148FN15O34 and a molecular weight of 1835.09 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol).

Molecular Properties

Compound Name2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)
PubChem CID167566304
Molecular FormulaC76H148FN15O34
Molecular Weight1835.09 g/mol
Exact Mass1834.03
IUPAC Name2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)
SMILESCC1C(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(F)C3N)C2O)OC(CN)C(O)C1O.CCC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3C)C2O)O1.CCC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3C)C2O)O1
InChIInChI=1S/2C26H51N5O11.C24H46FN5O12/c2*1-3-10(28)14-5-4-11(29)25(37-14)40-21-13(31)6-12(30)18(34)23(21)42-26-20(36)22(16(8-32)39-26)41-24-9(2)17(33)19(35)15(7-27)38-24;1-6-14(32)17(35)10(4-27)37-22(6)41-20-11(5-31)39-24(18(20)36)42-21-15(33)7(28)2-8(29)19(21)40-23-13(30)12(25)16(34)9(3-26)38-23/h2*9-26,32-36H,3-8,27-31H2,1-2H3;6-24,31-36H,2-5,26-30H2,1H3
InChIKeyFIFJKVJCTNCKMA-UHFFFAOYSA-N
XLogP-16.11
TPSA880.12 Ų
H-Bond Donors31
H-Bond Acceptors49
Rotatable Bonds29
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001835.09
LogP ≤ 5-16.11
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1049

Analyze 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)?
The IUPAC name of 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol) (CID 167566304) is 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol).
What is the SMILES notation for 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)?
The canonical SMILES for 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol) is CC1C(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(F)C3N)C2O)OC(CN)C(O)C1O.CCC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3C)C2O)O1.CCC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3C)C2O)O1.
What is the InChIKey of 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)?
The InChIKey is FIFJKVJCTNCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H51N5O11.C24H46FN5O12/c2*1-3-10(28)14-5-4-11(29)25(37-14)40-21-13(31)6-12(30)18(34)23(21)42-26-20(36)22(16(8-32)39-26)41-24-9(2)17(33)19(35)15(7-27)38-24;1-6-14(32)17(35)10(4-27)37-22(6)41-20-11(5-31)39-24(18(20)36)42-21-15(33)7(28)2-8(29)19(21)40-23-13(30)12(25)16(34)9(3-26)38-23/h2*9-26,32-36H,3-8,27-31H2,1-2H3;6-24,31-36H,2-5,26-30H2,1H3.
What are the key properties of 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)?
2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol) has a molecular weight of 1835.09 g/mol, XLogP of -16.11, 29 rotatable bonds, 31 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol) is sourced from PubChem (CID 167566304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).