(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol

C10H21NO5 — CID 44585240

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol
SMILESCOC[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO5/c1-6(5-15-2)11-3-7-9(13)10(14)8(4-12)16-7/h6-14H,3-5H2,1-2H3/t6-,7+,8+,9+,10+/m0/s1
InChIKeyQBPDKMUQQOSJHZ-VAPHQMJDSA-N
MW235.28 g/mol
LogP-1.91
Rot. Bonds6

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol (PubChem CID 44585240) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol
PubChem CID44585240
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol
SMILESCOC[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO5/c1-6(5-15-2)11-3-7-9(13)10(14)8(4-12)16-7/h6-14H,3-5H2,1-2H3/t6-,7+,8+,9+,10+/m0/s1
InChIKeyQBPDKMUQQOSJHZ-VAPHQMJDSA-N
XLogP-1.91
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol (CID 44585240) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol is COC[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol?
The InChIKey is QBPDKMUQQOSJHZ-VAPHQMJDSA-N. The full InChI is InChI=1S/C10H21NO5/c1-6(5-15-2)11-3-7-9(13)10(14)8(4-12)16-7/h6-14H,3-5H2,1-2H3/t6-,7+,8+,9+,10+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol has a molecular weight of 235.28 g/mol, XLogP of -1.91, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 44585240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).