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

C10H21NO5 — CID 130198667

IUPAC(4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCC(C)NC1C(O)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO5/c1-3-5(2)11-7-9(14)8(13)6(4-12)16-10(7)15/h5-15H,3-4H2,1-2H3/t5?,6?,7?,8-,9-,10?/m1/s1
InChIKeyIZNVMEIKZWXNLI-NADRERDOSA-N
MW235.28 g/mol
LogP-1.83
Rot. Bonds4

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

(4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 130198667) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID130198667
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCC(C)NC1C(O)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO5/c1-3-5(2)11-7-9(14)8(13)6(4-12)16-10(7)15/h5-15H,3-4H2,1-2H3/t5?,6?,7?,8-,9-,10?/m1/s1
InChIKeyIZNVMEIKZWXNLI-NADRERDOSA-N
XLogP-1.83
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 ≤ 5-1.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70829993
(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol
CID 57353518
(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 175358932
(2R,4R,5S)-3-(chloroamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 91580441
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 130198667) is (4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is CCC(C)NC1C(O)OC(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is IZNVMEIKZWXNLI-NADRERDOSA-N. The full InChI is InChI=1S/C10H21NO5/c1-3-5(2)11-7-9(14)8(13)6(4-12)16-10(7)15/h5-15H,3-4H2,1-2H3/t5?,6?,7?,8-,9-,10?/m1/s1.
What are the key properties of (4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
(4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 235.28 g/mol, XLogP of -1.83, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 130198667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).