(3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol

C12H24N2O4 — CID 15307192

IUPAC(3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol
SMILESCN[C@H]1[C@H](C)OC[C@@]1(O)[C@]1(O)CO[C@@H](C)[C@@H]1NC
InChIInChI=1S/C12H24N2O4/c1-7-9(13-3)11(15,5-17-7)12(16)6-18-8(2)10(12)14-4/h7-10,13-16H,5-6H2,1-4H3/t7-,8-,9-,10-,11-,12-/m0/s1
InChIKeyLRMSAOKCZDSFJH-ZNSCXOEOSA-N
MW260.33 g/mol
LogP-1.54
Rot. Bonds3

About (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol

(3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol (PubChem CID 15307192) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol
PubChem CID15307192
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol
SMILESCN[C@H]1[C@H](C)OC[C@@]1(O)[C@]1(O)CO[C@@H](C)[C@@H]1NC
InChIInChI=1S/C12H24N2O4/c1-7-9(13-3)11(15,5-17-7)12(16)6-18-8(2)10(12)14-4/h7-10,13-16H,5-6H2,1-4H3/t7-,8-,9-,10-,11-,12-/m0/s1
InChIKeyLRMSAOKCZDSFJH-ZNSCXOEOSA-N
XLogP-1.54
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol with MolForge

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Related Compounds

(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500
2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid
CID 165438430
cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine
CID 131743042
trans-(1S,3S)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine
CID 131743040
tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 139427232
3-(methylamino)oxetan-3-ol
CID 123559940
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3a,5,6a-tetrahydrofuro[3,2-b]furan-3,6-diol
CID 68824826
1-methyl-3-(methylamino)cyclobutan-1-ol
CID 123473933
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane
CID 11821655
5,12-dimethyl-3,7,10,14-tetraoxa-15,16-diazapentacyclo[7.5.1.12,5.012,15.08,16]hexadecane
CID 73080243

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol?
The IUPAC name of (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol (CID 15307192) is (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol.
What is the SMILES notation for (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol?
The canonical SMILES for (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol is CN[C@H]1[C@H](C)OC[C@@]1(O)[C@]1(O)CO[C@@H](C)[C@@H]1NC.
What is the InChIKey of (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol?
The InChIKey is LRMSAOKCZDSFJH-ZNSCXOEOSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-7-9(13-3)11(15,5-17-7)12(16)6-18-8(2)10(12)14-4/h7-10,13-16H,5-6H2,1-4H3/t7-,8-,9-,10-,11-,12-/m0/s1.
What are the key properties of (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol?
(3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol has a molecular weight of 260.33 g/mol, XLogP of -1.54, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol is sourced from PubChem (CID 15307192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).