(2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol

C16H32N2O8 — CID 59092790

IUPAC(2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol
SMILESCCO[C@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2N)C(O)[C@H]1NC
InChIInChI=1S/C16H32N2O8/c1-4-23-16-11(18-3)13(22)14(9(6-20)25-16)26-15-10(17)12(21)7(2)8(5-19)24-15/h7-16,18-22H,4-6,17H2,1-3H3/t7-,8?,9?,10?,11+,12-,13?,14+,15-,16-/m0/s1
InChIKeyBZXADQCBTWRSQT-YLHPIBTNSA-N
MW380.44 g/mol
LogP-2.88
Rot. Bonds7

About (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol

(2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol (PubChem CID 59092790) has the molecular formula C16H32N2O8 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol
PubChem CID59092790
Molecular FormulaC16H32N2O8
Molecular Weight380.44 g/mol
Exact Mass380.22
IUPAC Name(2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol
SMILESCCO[C@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2N)C(O)[C@H]1NC
InChIInChI=1S/C16H32N2O8/c1-4-23-16-11(18-3)13(22)14(9(6-20)25-16)26-15-10(17)12(21)7(2)8(5-19)24-15/h7-16,18-22H,4-6,17H2,1-3H3/t7-,8?,9?,10?,11+,12-,13?,14+,15-,16-/m0/s1
InChIKeyBZXADQCBTWRSQT-YLHPIBTNSA-N
XLogP-2.88
TPSA155.89 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 5-2.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol?
The IUPAC name of (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol (CID 59092790) is (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol.
What is the SMILES notation for (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol?
The canonical SMILES for (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol is CCO[C@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2N)C(O)[C@H]1NC.
What is the InChIKey of (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol?
The InChIKey is BZXADQCBTWRSQT-YLHPIBTNSA-N. The full InChI is InChI=1S/C16H32N2O8/c1-4-23-16-11(18-3)13(22)14(9(6-20)25-16)26-15-10(17)12(21)7(2)8(5-19)24-15/h7-16,18-22H,4-6,17H2,1-3H3/t7-,8?,9?,10?,11+,12-,13?,14+,15-,16-/m0/s1.
What are the key properties of (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol?
(2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol has a molecular weight of 380.44 g/mol, XLogP of -2.88, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol is sourced from PubChem (CID 59092790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).