(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol

C9H19NO5 — CID 57353518

IUPAC(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol
SMILESCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O
InChIInChI=1S/C9H19NO5/c1-2-3-10-6-8(13)7(12)5(4-11)15-9(6)14/h5-14H,2-4H2,1H3/t5-,6-,7-,8-,9+/m0/s1
InChIKeyCDIASLMTBMKXBH-VCQFTWBDSA-N
MW221.25 g/mol
LogP-2.21
Rot. Bonds4

About (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol

(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol (PubChem CID 57353518) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol
PubChem CID57353518
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol
SMILESCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O
InChIInChI=1S/C9H19NO5/c1-2-3-10-6-8(13)7(12)5(4-11)15-9(6)14/h5-14H,2-4H2,1H3/t5-,6-,7-,8-,9+/m0/s1
InChIKeyCDIASLMTBMKXBH-VCQFTWBDSA-N
XLogP-2.21
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-2.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol with MolForge

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Related Compounds

(3R,4R,5S,6R)-3-(hexylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974837
(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70829993
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(3R,4R,5R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 126608918
(3R,4R,5R,6R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58606874
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
methyl 4-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]butanoate
CID 174365508
(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 175358932
(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(13,13,13-triethoxytridecylamino)oxane-2,4,5-triol
CID 150285176

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol (CID 57353518) is (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol is CCCN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol?
The InChIKey is CDIASLMTBMKXBH-VCQFTWBDSA-N. The full InChI is InChI=1S/C9H19NO5/c1-2-3-10-6-8(13)7(12)5(4-11)15-9(6)14/h5-14H,2-4H2,1H3/t5-,6-,7-,8-,9+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol?
(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol has a molecular weight of 221.25 g/mol, XLogP of -2.21, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol is sourced from PubChem (CID 57353518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).