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

C15H30N2O8 — CID 59080121

IUPAC(2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol
SMILESCNC1[C@@H](OC)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2N)[C@H]1O
InChIInChI=1S/C15H30N2O8/c1-6-7(4-18)23-14(9(16)11(6)20)25-13-8(5-19)24-15(22-3)10(17-2)12(13)21/h6-15,17-21H,4-5,16H2,1-3H3/t6-,7?,8?,9?,10?,11-,12-,13+,14-,15-/m0/s1
InChIKeyBLAXTCPXOSTDHR-DTSZAPGXSA-N
MW366.41 g/mol
LogP-3.27
Rot. Bonds6

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

(2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol (PubChem CID 59080121) has the molecular formula C15H30N2O8 and a molecular weight of 366.41 g/mol. Its IUPAC name is (2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol
PubChem CID59080121
Molecular FormulaC15H30N2O8
Molecular Weight366.41 g/mol
Exact Mass366.20
IUPAC Name(2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol
SMILESCNC1[C@@H](OC)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2N)[C@H]1O
InChIInChI=1S/C15H30N2O8/c1-6-7(4-18)23-14(9(16)11(6)20)25-13-8(5-19)24-15(22-3)10(17-2)12(13)21/h6-15,17-21H,4-5,16H2,1-3H3/t6-,7?,8?,9?,10?,11-,12-,13+,14-,15-/m0/s1
InChIKeyBLAXTCPXOSTDHR-DTSZAPGXSA-N
XLogP-3.27
TPSA155.89 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.41
LogP ≤ 5-3.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-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,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol?
The IUPAC name of (2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol (CID 59080121) is (2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-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,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol?
The canonical SMILES for (2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol is CNC1[C@@H](OC)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2N)[C@H]1O.
What is the InChIKey of (2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol?
The InChIKey is BLAXTCPXOSTDHR-DTSZAPGXSA-N. The full InChI is InChI=1S/C15H30N2O8/c1-6-7(4-18)23-14(9(16)11(6)20)25-13-8(5-19)24-15(22-3)10(17-2)12(13)21/h6-15,17-21H,4-5,16H2,1-3H3/t6-,7?,8?,9?,10?,11-,12-,13+,14-,15-/m0/s1.
What are the key properties of (2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol?
(2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol has a molecular weight of 366.41 g/mol, XLogP of -3.27, 6 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,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol is sourced from PubChem (CID 59080121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).