(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol

C9H19NO5 — CID 140856132

IUPAC(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1N
InChIInChI=1S/C9H19NO5/c1-4(2)14-9-6(10)8(13)7(12)5(3-11)15-9/h4-9,11-13H,3,10H2,1-2H3/t5?,6?,7-,8-,9-/m1/s1
InChIKeyGDMSHMFYJZZLTD-CDBVJKSLSA-N
MW221.25 g/mol
LogP-1.82
Rot. Bonds3

About (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol

(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol (PubChem CID 140856132) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
PubChem CID140856132
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1N
InChIInChI=1S/C9H19NO5/c1-4(2)14-9-6(10)8(13)7(12)5(3-11)15-9/h4-9,11-13H,3,10H2,1-2H3/t5?,6?,7-,8-,9-/m1/s1
InChIKeyGDMSHMFYJZZLTD-CDBVJKSLSA-N
XLogP-1.82
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxy-5-sulfanyloxane-3,4-diol
CID 18711285
(3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol
CID 70809283
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxy-4-sulfanyloxane-3,5-diol
CID 20638905
(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol
CID 70799041
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67874943
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol
CID 121222434

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol?
The IUPAC name of (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol (CID 140856132) is (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol.
What is the SMILES notation for (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol?
The canonical SMILES for (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol is CC(C)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1N.
What is the InChIKey of (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol?
The InChIKey is GDMSHMFYJZZLTD-CDBVJKSLSA-N. The full InChI is InChI=1S/C9H19NO5/c1-4(2)14-9-6(10)8(13)7(12)5(3-11)15-9/h4-9,11-13H,3,10H2,1-2H3/t5?,6?,7-,8-,9-/m1/s1.
What are the key properties of (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol?
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol has a molecular weight of 221.25 g/mol, XLogP of -1.82, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol is sourced from PubChem (CID 140856132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).