(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one

C9H19NO4 — CID 141350256

IUPAC(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one
SMILESCC(C)=O.C[C@@H]1OC(O)C[C@@H](N)[C@H]1O
InChIInChI=1S/C6H13NO3.C3H6O/c1-3-6(9)4(7)2-5(8)10-3;1-3(2)4/h3-6,8-9H,2,7H2,1H3;1-2H3/t3-,4+,5?,6-;/m0./s1
InChIKeyXFWSWUAYBSQZHK-MQGCAWFZSA-N
MW205.25 g/mol
LogP-0.60
Rot. Bonds

About (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one

(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one (PubChem CID 141350256) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one.

Molecular Properties

Compound Name(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one
PubChem CID141350256
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one
SMILESCC(C)=O.C[C@@H]1OC(O)C[C@@H](N)[C@H]1O
InChIInChI=1S/C6H13NO3.C3H6O/c1-3-6(9)4(7)2-5(8)10-3;1-3(2)4/h3-6,8-9H,2,7H2,1H3;1-2H3/t3-,4+,5?,6-;/m0./s1
InChIKeyXFWSWUAYBSQZHK-MQGCAWFZSA-N
XLogP-0.60
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one?
The IUPAC name of (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one (CID 141350256) is (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one.
What is the SMILES notation for (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one?
The canonical SMILES for (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one is CC(C)=O.C[C@@H]1OC(O)C[C@@H](N)[C@H]1O.
What is the InChIKey of (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one?
The InChIKey is XFWSWUAYBSQZHK-MQGCAWFZSA-N. The full InChI is InChI=1S/C6H13NO3.C3H6O/c1-3-6(9)4(7)2-5(8)10-3;1-3(2)4/h3-6,8-9H,2,7H2,1H3;1-2H3/t3-,4+,5?,6-;/m0./s1.
What are the key properties of (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one?
(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one has a molecular weight of 205.25 g/mol, XLogP of -0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one is sourced from PubChem (CID 141350256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).