(3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol

C10H21NO5 — CID 58807594

IUPAC(3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
SMILESCO[C@@H]1OC(COCCO)[C@H](C)[C@H](O)C1N
InChIInChI=1S/C10H21NO5/c1-6-7(5-15-4-3-12)16-10(14-2)8(11)9(6)13/h6-10,12-13H,3-5,11H2,1-2H3/t6-,7?,8?,9-,10+/m0/s1
InChIKeyUGBRXCORAXXRQA-SOHWVZJWSA-N
MW235.28 g/mol
LogP-1.31
Rot. Bonds5

About (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol

(3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol (PubChem CID 58807594) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol.

Molecular Properties

Compound Name(3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
PubChem CID58807594
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
SMILESCO[C@@H]1OC(COCCO)[C@H](C)[C@H](O)C1N
InChIInChI=1S/C10H21NO5/c1-6-7(5-15-4-3-12)16-10(14-2)8(11)9(6)13/h6-10,12-13H,3-5,11H2,1-2H3/t6-,7?,8?,9-,10+/m0/s1
InChIKeyUGBRXCORAXXRQA-SOHWVZJWSA-N
XLogP-1.31
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
CID 130303988
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
(3S,4S,6R)-5-amino-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol;furan-2,5-dione
CID 90864816
2-[[3,4,5-tris(2-hydroxyethoxy)-6-methoxyoxan-2-yl]methoxy]ethanol
CID 19991269
[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
CID 59893568
5-amino-6-[5-amino-6-[5-amino-4,6-dihydroxy-2-(2-hydroxyethoxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(2-hydroxyethoxymethyl)oxan-3-yl]oxy-2-(2-hydroxyethoxymethyl)oxane-3,4-diol;azane
CID 171324597
N-[(2R,4S,5R)-5-[(2S,4S,5R)-3-acetamido-5-[(2S,4R,5R)-3-amino-4-hydroxy-6-(2-hydroxyethoxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(2-hydroxyethoxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(2-hydroxyethoxymethyl)-2-methoxyoxan-3-yl]hexanamide;N-[(2R,4S,5R)-5-[(2S,4R,5R)-3-amino-4-hydroxy-6-(2-hydroxyethoxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(2-hydroxyethoxymethyl)-2-methoxyoxan-3-yl]acetamide;1-hydroxypropyl propanoate
CID 162217748
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
2-[5-amino-6-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-3-methyloxan-4-ol
CID 58030369

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol?
The IUPAC name of (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol (CID 58807594) is (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol.
What is the SMILES notation for (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol?
The canonical SMILES for (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol is CO[C@@H]1OC(COCCO)[C@H](C)[C@H](O)C1N.
What is the InChIKey of (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol?
The InChIKey is UGBRXCORAXXRQA-SOHWVZJWSA-N. The full InChI is InChI=1S/C10H21NO5/c1-6-7(5-15-4-3-12)16-10(14-2)8(11)9(6)13/h6-10,12-13H,3-5,11H2,1-2H3/t6-,7?,8?,9-,10+/m0/s1.
What are the key properties of (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol?
(3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol has a molecular weight of 235.28 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol is sourced from PubChem (CID 58807594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).