(2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol

C10H21NO5 — CID 56634119

IUPAC(2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol
SMILESCC(C)CNC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H21NO5/c1-5(2)3-11-4-6-7(12)8(13)9(14)10(15)16-6/h5-15H,3-4H2,1-2H3/t6-,7+,8+,9+,10+/m1/s1
InChIKeyCOSIRBBJMAFWSP-MBGOZMDMSA-N
MW235.28 g/mol
LogP-1.97
Rot. Bonds4

About (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol

(2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol (PubChem CID 56634119) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol
PubChem CID56634119
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol
SMILESCC(C)CNC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H21NO5/c1-5(2)3-11-4-6-7(12)8(13)9(14)10(15)16-6/h5-15H,3-4H2,1-2H3/t6-,7+,8+,9+,10+/m1/s1
InChIKeyCOSIRBBJMAFWSP-MBGOZMDMSA-N
XLogP-1.97
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol
CID 54121155
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
CID 138718011
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol (CID 56634119) is (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol is CC(C)CNC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol?
The InChIKey is COSIRBBJMAFWSP-MBGOZMDMSA-N. The full InChI is InChI=1S/C10H21NO5/c1-5(2)3-11-4-6-7(12)8(13)9(14)10(15)16-6/h5-15H,3-4H2,1-2H3/t6-,7+,8+,9+,10+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol?
(2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol has a molecular weight of 235.28 g/mol, XLogP of -1.97, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 56634119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).