(2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol

C10H21NO5 — CID 70927884

IUPAC(2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol
SMILESC[C@@]1(CO)C(CO)O[C@@](C)(CO)C(N)C1O
InChIInChI=1S/C10H21NO5/c1-9(4-13)6(3-12)16-10(2,5-14)7(11)8(9)15/h6-8,12-15H,3-5,11H2,1-2H3/t6?,7?,8?,9-,10+/m1/s1
InChIKeyRBHQNUAWBOBTRM-VCRKPGIOSA-N
MW235.28 g/mol
LogP-2.18
Rot. Bonds3

About (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol

(2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol (PubChem CID 70927884) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol
PubChem CID70927884
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol
SMILESC[C@@]1(CO)C(CO)O[C@@](C)(CO)C(N)C1O
InChIInChI=1S/C10H21NO5/c1-9(4-13)6(3-12)16-10(2,5-14)7(11)8(9)15/h6-8,12-15H,3-5,11H2,1-2H3/t6?,7?,8?,9-,10+/m1/s1
InChIKeyRBHQNUAWBOBTRM-VCRKPGIOSA-N
XLogP-2.18
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 59189018
CID 88954271
CID 88954271
(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
CID 102165181
6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol
CID 86080734
4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
CID 137455676
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
CID 14959485
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
CID 59937976
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
CID 172738013
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol?
The IUPAC name of (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol (CID 70927884) is (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol.
What is the SMILES notation for (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol?
The canonical SMILES for (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol is C[C@@]1(CO)C(CO)O[C@@](C)(CO)C(N)C1O.
What is the InChIKey of (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol?
The InChIKey is RBHQNUAWBOBTRM-VCRKPGIOSA-N. The full InChI is InChI=1S/C10H21NO5/c1-9(4-13)6(3-12)16-10(2,5-14)7(11)8(9)15/h6-8,12-15H,3-5,11H2,1-2H3/t6?,7?,8?,9-,10+/m1/s1.
What are the key properties of (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol?
(2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol has a molecular weight of 235.28 g/mol, XLogP of -2.18, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol is sourced from PubChem (CID 70927884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).