(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol

C9H19NO4 — CID 170289565

IUPAC(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol
SMILESCC(C)NC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H19NO4/c1-5(2)10-3-7-9(13)8(12)6(11)4-14-7/h5-13H,3-4H2,1-2H3/t6-,7+,8+,9+/m0/s1
InChIKeyRWAWSVPPKXASFT-JQCXWYLXSA-N
MW205.25 g/mol
LogP-1.53
Rot. Bonds3

About (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol

(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol (PubChem CID 170289565) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol
PubChem CID170289565
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol
SMILESCC(C)NC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H19NO4/c1-5(2)10-3-7-9(13)8(12)6(11)4-14-7/h5-13H,3-4H2,1-2H3/t6-,7+,8+,9+/m0/s1
InChIKeyRWAWSVPPKXASFT-JQCXWYLXSA-N
XLogP-1.53
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol (CID 170289565) is (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol is CC(C)NC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol?
The InChIKey is RWAWSVPPKXASFT-JQCXWYLXSA-N. The full InChI is InChI=1S/C9H19NO4/c1-5(2)10-3-7-9(13)8(12)6(11)4-14-7/h5-13H,3-4H2,1-2H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol?
(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol has a molecular weight of 205.25 g/mol, XLogP of -1.53, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol is sourced from PubChem (CID 170289565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).